SCHEMBL7985569

SCHEMBL7985569

CCn1nc(C)cc1C(=O)NC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
SMYD3 Q9H7B4 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
STING1 Q86WV6 7/20 0.45
TBK1 Q9UHD2 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL23115923 0.86 ALDH1A1 (0.53) MAPTSMYD3NPSR1ALDH1A1STING1
SCHEMBL12676605 0.85 MAPT (0.51) MAPTSMYD3NPSR1ALDH1A1STING1
SCHEMBL12669803 0.82 CNR1 (0.52) MAPTSMYD3NPSR1ALDH1A1STING1
SCHEMBL25111008 0.81 BRD4 (0.40) MAPTSMYD3NPSR1ALDH1A1LMNA
SCHEMBL24275920 0.81 BAZ2B (0.37) MAPTSMYD3NPSR1ALDH1A1STING1
SCHEMBL4007518 0.80 MAPT (0.56) MAPTSMYD3NPSR1ALDH1A1STING1
SCHEMBL3285239 0.80 MAPT (0.56) MAPTSMYD3NPSR1ALDH1A1STING1
SCHEMBL8204434 0.80 MAPT (0.56) MAPTSMYD3NPSR1ALDH1A1STING1
SCHEMBL710008 0.80 MAPT (0.56) MAPTSMYD3NPSR1ALDH1A1STING1
Hydrochloric Acid SCHEMBL29624914 0.80 BAZ2B (0.36) MAPTSMYD3NPSR1ALDH1A1STING1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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 (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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 MAPT 1571/4885SMYD3 1552/4885NPSR1 1240/4885

“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.