SCHEMBL2476935

SCHEMBL2476935

Cc1ccc(C(C)(C)C)nc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TSHR P16473 1/20 0.33
CCR4 P51679 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.30

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
SCHEMBL20457066 0.85 LMNA (0.35) KDM4E
SCHEMBL24967231 0.85
SCHEMBL27269539 0.85 MEN1 (0.32) NOS3NOS1NOS2TSHRCCR4
SCHEMBL12570324 0.80 NOS3 (0.48) NOS3NOS1NOS2TSHRCCR4
SCHEMBL21718453 0.78 CCR1 (0.40) NOS3NOS1NOS2KDM4EATM
SCHEMBL13253381 0.76 CA2 (0.31) TSHR
SCHEMBL10236287 0.74 NOS3 (0.43) NOS3NOS1NOS2TSHRCCR4
SCHEMBL8008974 0.74 TDP1 (0.36) NOS3NOS1NOS2TSHRCCR4
SCHEMBL26703718 0.74 GABRA1 (0.34) NOS3NOS1NOS2TSHRCCR4
SCHEMBL15429556 0.74 NOS2 (0.54) NOS3NOS1NOS2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154984-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2017-04-19 EP claimed
WO-2015191437-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2015-12-17 WO claimed
EP-1146887-A4 GLYCOPEPTIDE ANTIBIOTICS CONTAINING A DESMETHYLVANCOSAMINE RESIDUE, COMBINATORIAL LIBRARIES OF SAME AND METHODS OF PRODUCING SAME UNIV PRINCETON (US) 2003-05-07 EP claimed
WO-2000041710-A9 GLYCOPEPTIDE ANTIBIOTICS CONTAINING A DESMETHYLVANCOSAMINE RESIDUE, COMBINATORIAL LIBRARIES OF SAME AND METHODS OF PRODUCING SAME UNIV PRINCETON (US) 2001-11-22 WO claimed
EP-1146887-A1 GLYCOPEPTIDE ANTIBIOTICS CONTAINING A DESMETHYLVANCOSAMINE RESIDUE, COMBINATORIAL LIBRARIES OF SAME AND METHODS OF PRODUCING SAME Princeton University (US) 2001-10-24 EP claimed
WO-2000041710-A1 GLYCOPEPTIDE ANTIBIOTICS CONTAINING A DESMETHYLVANCOSAMINE RESIDUE, COMBINATORIAL LIBRARIES OF SAME AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-07-20 WO claimed
US-5403803-A Polymerization catalyst for alpha-olefins EXXON CHEMICAL PATENTS INC. (US) 1995-04-04 US claimed
CN-119118872-A Tetrahydronaphthalene and tetrahydroquinoline compounds as HIF-2 alpha inhibitors 艾库斯生物科学有限公司 2024-12-13 CN disclosed
CN-115298165-B Tetrahydronaphthalene and tetrahydroquinoline compounds as HIF-2 alpha inhibitors 艾库斯生物科学有限公司 2024-09-17 CN disclosed
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 US disclosed
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
CN-115298165-A Tetralin and tetrahydroquinoline compounds as HIF-2 alpha inhibitors 艾库斯生物科学有限公司 2022-11-04 CN disclosed
EP-1146887-A1 GLYCOPEPTIDE ANTIBIOTICS CONTAINING A DESMETHYLVANCOSAMINE RESIDUE, COMBINATORIAL LIBRARIES OF SAME AND METHODS OF PRODUCING SAME Princeton University (US) 2001-10-24 EP disclosed
EP-1095058-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME Princeton University (US) 2001-05-02 EP disclosed
WO-2000069892-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-11-23 WO disclosed
WO-2000041710-A1 GLYCOPEPTIDE ANTIBIOTICS CONTAINING A DESMETHYLVANCOSAMINE RESIDUE, COMBINATORIAL LIBRARIES OF SAME AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-07-20 WO disclosed
WO-2000004044-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-01-27 WO disclosed
WO-1995009190-A1 CARBOCATIONIC CATALYST AND PROCESS FOR ITS USE EXXON CHEMICAL PATENTS INC. (US) 1995-04-06 WO disclosed
US-5403803-A Polymerization catalyst for alpha-olefins EXXON CHEMICAL PATENTS INC. (US) 1995-04-04 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 (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-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R NOS3 4665/4885NOS1 4619/4885NOS2 4668/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 NOS3 4013/4885NOS1 4171/4885NOS2 4166/4885
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR NOS3 383/4885NOS1 129/4885NOS2 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.