SCHEMBL250472

SCHEMBL250472

[O]CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
LOXL2 Q9Y4K0 1/20 0.59
KCNJ1 P48048 4/20 0.58
KCNH2 Q12809 4/20 0.58
HRH3 Q9Y5N1 1/20 0.55
IDO1 P14902 2/20 0.53
CYP2C19 P33261 3/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
CYP19A1 P11511 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3292782 0.88 TSHR (0.75) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL7317557 0.87 TSHR (0.62) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL2588477 0.86 TSHR (0.67) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL10609393 0.85 TSHR (0.60) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL18913824 0.84 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL30758863 0.84 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL10607589 0.84 TSHR (0.58) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL10610874 0.84 TSHR (0.58) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL10608769 0.84 TSHR (0.58) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL10607513 0.84 TSHR (0.58) TSHRLOXL2KCNJ1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102690269-B Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2015-01-07 CN claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof CHATTOPADHYAYA JYOTI (SE) 2004-07-22 US claimed
EP-1332150-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF Chattopadhyaya, Jyoti (SE) 2003-08-06 EP claimed
WO-2003039523-A2 OLIGONUCLEOTIDES MODIFIED WITH NOVEL α-L-RNA ANALOGUES EXIQON A/S (DK) 2003-05-15 WO claimed
WO-2002038578-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF CHATTOPADHYAYA JYOTI (SE) 2002-05-16 WO claimed
EP-0739898-B1 Phosphonomonoester nucleic acids, methods for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-26 EP claimed
US-5874553-A ANTIBODIES; INHIBITOR OF GENE EXPRESSION HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
CN-109069572-A Therapeutic compositions comprising peptides and uses thereof 康德生物医疗技术公司 2018-12-21 CN disclosed
CN-102690269-B Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2015-01-07 CN disclosed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 EP disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed
EP-0188400-A2 Oligopeptides, intermediates and process for their preparation CIBA-GEIGY AG (CH) 1986-07-23 EP disclosed
EP-0168342-A1 Process for the preparation of thrombin inhibitors CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed
EP-0146785-A1 Process for the preparation of protease inhibitors CIBA-GEIGY AG (CH) 1985-07-03 EP 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 (1 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-20040142946-A1 Modified nucleosides and nucleotides and use thereof RNASEH1, RNASEL, NSUN2 TSHR 1258/4885LOXL2 1101/4885KCNJ1 2232/4885

“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.