SCHEMBL4774133

SCHEMBL4774133

CNC(=O)c1ccsc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.51
NAMPT P43490 1/20 0.51
RAB9A P51151 4/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 3/20 0.40
NPC1 O15118 3/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 2/20 0.40

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
SCHEMBL3384660 0.82 NAMPT (0.50) NAMPTMAPTKDM4EGAAALDH1A1
SCHEMBL158623 0.79 MAPK10 (0.51) MAPK10RAB9AMAPTKDM4EGAA
SCHEMBL25607337 0.79 NAMPT (0.48) NAMPTRAB9AKDM4EGAAALDH1A1
SCHEMBL25412667 0.78 NAMPT (0.45) NAMPTRAB9AMAPTKDM4EGAA
SCHEMBL2061678 0.78 MEN1 (0.59) MAPK10RAB9AMAPTKDM4EGAA
SCHEMBL27384808 0.78 MAPK10 (0.63) MAPK10RAB9AMAPTKDM4EGAA
SCHEMBL21962695 0.78 MAPT (0.53) MAPK10RAB9AMAPTKDM4EGAA
SCHEMBL13806641 0.77 NAMPT (0.47) NAMPTRAB9AKDM4EGAAALDH1A1
SCHEMBL8630712 0.77 NAMPT (0.47) MAPK10NAMPTRAB9AMAPTKDM4E
SCHEMBL19011349 0.76 DHODH (0.55) MAPK10RAB9AMAPTKDM4EGAA

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 10 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
CN-102666500-A Seven-membered ring compound and pharmaceutical use therefor DAIICHI SANKYO CO LTD 2012-09-12 CN disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPK10 1652/4885NAMPT 2297/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPK10 2767/4885NAMPT 4470/4885RAB9A 2304/4885

“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.