SCHEMBL143128

SCHEMBL143128

O=CCCCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
NQO2 P16083 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
CA2 P00918 1/20 0.45
MCL1 Q07820 2/20 0.44
ACP3 P15309 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CYP2D6 P10635 1/20 0.43
DAO P14920 1/20 0.43

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
SCHEMBL3225216 0.95 MTNR1A (0.45) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL3244852 0.93 MTNR1A (0.44) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7176162 0.90 HPRT1 (0.45) MTNR1ANQO2TDP1GPR84CA2
SCHEMBL143458 0.89 MTNR1A (0.49) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7176833 0.85 HPRT1 (0.44) MTNR1ANQO2TDP1GPR84MCL1
SCHEMBL9216856 0.85 CYP1A2 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7190938 0.84 MTNR1A (0.40) MTNR1ANQO2GPR84CA2DAO
SCHEMBL7184372 0.84 HPRT1 (0.42) MTNR1ANQO2TDP1GPR84MCL1
SCHEMBL9800436 0.82 CYP1A2 (0.58) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL5830948 0.82 GPR84 (0.59) MTNR1ANQO2TDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
US-20240084308-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2024-03-14 US disclosed
US-20240034845-A1 POLYMER PARTICLES QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2024-02-01 US disclosed
EP-3384549-B1 SODIUM-ION ELECTROLYTE COMPOSITION UNIV DEAKIN (AU) 2024-01-17 EP disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 US disclosed
US-20230348674-A1 HYDROGELS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-11-02 US disclosed
WO-2023190111-A1 RAFT POLYMERIZATION REACTION SOLUTION AND RAFT POLYMERIZATION REACTION SOLUTION PRODUCTION METHOD テクノUMG株式会社 2023-10-05 WO disclosed
WO-1992012154-A1 IMIDAZOTRIAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-23 WO disclosed
WO-1992003438-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-05 WO disclosed
WO-1992002513-A1 HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed
US-4981847-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-01 US disclosed
EP-0360079-A1 Tricyclic compounds, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP disclosed
EP-0336230-A2 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 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 (3 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-11834663-B2 Fibrotic treatment MMP1, ENPEP, RNPEP MTNR1A 1398/4885NQO2 3834/4885TDP1 3735/4885
US-20230348674-A1 HYDROGELS PHYKPL, TST, PHOSPHO1 MTNR1A 4090/4885NQO2 2360/4885TDP1 2333/4885
US-20240084308-A1 FIBROTIC TREATMENT MMP1, ENPEP, RNPEP MTNR1A 1398/4885NQO2 3834/4885TDP1 3735/4885

“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.