SCHEMBL102131

SCHEMBL102131

CC(C)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.64
CYP1A2 P05177 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
POLB P06746 1/20 0.59
CYP2D6 P10635 1/20 0.59
RECQL P46063 1/20 0.59
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
FAAH O00519 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
GABRA1 P14867 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14450027 0.83 GPR35 (0.67) GPR35CYP1A2TDP1CYP3A4CYP2C9
SCHEMBL6905688 0.83 GPR35 (0.56) GPR35CYP1A2TDP1CYP3A4CYP2C9
Propofol SCHEMBL23201528 0.82 GABRA1 (0.71) GPR35CYP1A2TDP1CYP3A4CYP2C9
SCHEMBL426968 0.82 GPR35 (0.55) GPR35CYP1A2TDP1CYP3A4CYP2C9
SCHEMBL8644420 0.81 GPR35 (0.64) GPR35CYP1A2TDP1CYP3A4CYP2C9
SCHEMBL30800630 0.80 ALDH1A1 (0.56) GPR35CYP1A2TDP1MEN1KMT2A
SCHEMBL254406 0.80 ALDH1A1 (0.56) GPR35CYP1A2TDP1MEN1KMT2A
SCHEMBL1077970 0.80 GPR35 (1.00) GPR35CYP1A2TDP1CYP3A4CYP2C9
SCHEMBL13902996 0.79 TDP1 (0.50) GPR35CYP1A2TDP1CYP3A4CYP2C9
SCHEMBL11795966 0.79 TSHR (0.58) GPR35CYP1A2TDP1CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5078285-A None JP disclosed
US-20230303480-A1 Polybenzoxazole, Polyamide, Polyamide Solution, Insulating Material for High-Frequency Electronic Component, High-Frequency Electronic Component, High-Frequency Equipment, Insulating Material for Producing High-Frequency Electronic Component, Method for Producing Polyamide, Method for Producing Polybenzoxazole, Method for Producing Insulating Material for High-Frequency Electronic Component, and Diamine or Salt Thereof CENTRAL GLASS COMPANY, LIMITED (JP) 2023-09-28 US disclosed
US-20230303480-A1 Polybenzoxazole, Polyamide, Polyamide Solution, Insulating Material for High-Frequency Electronic Component, High-Frequency Electronic Component, High-Frequency Equipment, Insulating Material for Producing High-Frequency Electronic Component, Method for Producing Polyamide, Method for Producing Polybenzoxazole, Method for Producing Insulating Material for High-Frequency Electronic Component, and Diamine or Salt Thereof CENTRAL GLASS COMPANY, LIMITED (JP) 2023-09-28 US disclosed
EP-4194482-A1 POLYBENZOXAZOLE, POLYAMIDE, POLYAMIDE SOLUTION, INSULATION FOR HIGH-FREQUENCY ELECTRONIC COMPONENT, HIGH-FREQUENCY ELECTRONIC COMPONENT, HIGH-FREQUENCY EQUIPMENT, INSULATION MATERIAL FOR PRODUCING HIGH-FREQUENCY ELECTRONIC COMPONENT, METHOD FOR PRODUCING POLYAMIDE, METHOD FOR PRODUCING POLYBENZOXAZOLE, METHOD FOR PRODUCING INSULATION FOR HIGH-FREQUENCY ELECTRONIC COMPONENT, AND DIAMINE OR SALT THEREOF Central Glass Company, Limited (JP) 2023-06-14 EP disclosed
CN-116075424-A Polybenzoxazole, polyamide solution, insulating material for high-frequency electronic parts, high-frequency device, insulating material for high-frequency electronic parts production, process for producing polyamide, process for producing polybenzoxazole, process for producing insulating material for high-frequency electronic parts, and diamine or salt thereof 中央硝子株式会社 2023-05-05 CN disclosed
CN-105431427-B Novel PDE 4 inhibitor 明治制果药业株式会社 2017-12-08 CN disclosed
CN-102993084-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2015-05-20 CN disclosed
US-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed
EP-0253340-B1 ALKYL-SUBSTITUTED BENZOXAZINORIFAMYCIN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND ANTIBACTERIAL AGENT CONTAINING THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed
JP-H0578285-A PRODUCTION OF 2,4-DICHLORO-3-ALKYL-6-NITROPHENOL TAOKA CHEM CO LTD 1993-03-30 JP disclosed
CN-1018833-B Alkyl substituted benzoxazinorifamycin derivatives KANEGAFUCHI CHEMICAL IND (JP) 1992-10-28 CN disclosed
US-4859661-A Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
CN-87104870-A Benzoxazinnorifamyciderivative derivative, its preparation method that alkyl replaces and contain the antiseptic-germicide of this derivative 1988-02-17 CN disclosed
EP-0253340-A1 Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-20 EP disclosed
US-4208513-A Benzoxazolyl-phenylstilbenes, processes for producing them, and their use as optical brighteners CIBA-GEIGY CORPORATION (US) 1980-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230303480-A1 Polybenzoxazole, Polyamide, Polyamide Solution, Insulating Material for High-Frequency Electronic Component, High-Frequency Electronic Component, High-Frequency Equipment, Insulating Material for Producing High-Frequency Electronic Component, Method for Producing Polyamide, Method for Producing Polybenzoxazole, Method for Producing Insulating Material for High-Frequency Electronic Component, and Diamine or Salt Thereof PUF60, TET1, PBRM1 GPR35 4060/4885CYP1A2 1585/4885TDP1 1527/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 GPR35 1419/4885CYP1A2 23/4885TDP1 262/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.