SCHEMBL1230231

SCHEMBL1230231

N#Cc1c(O)nsc1Nc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
MAPK1 P28482 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 3/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 2/20 0.37
BTK Q06187 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MAP2K1 Q02750 2/20 0.36

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
SCHEMBL5940979 0.89 KDM4E (0.41) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL2441575 0.85 HTT (0.41) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL26124168 0.84 KDM4E (0.53) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL21917259 0.84 HTT (0.41) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL21917263 0.83 MAP2K1 (0.54) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL2441653 0.83 MAP2K1 (0.54) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL21917353 0.83 HTT (0.50) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL5941012 0.83 HTT (0.43) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL2469097 0.83 HTT (0.43) KDM4EMAPTMAPK1L3MBTL1CACNA1B
SCHEMBL21917576 0.81 HTT (0.45) KDM4EMAPTMAPK1L3MBTL1CACNA1B

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-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US claimed
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
US-20110039900-A1 ISOTHIOZOLES FOR TREATING CONDITIONS OF THE EYE ALLERGAN, INC. 2011-02-17 US disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed
US-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US disclosed
US-20040039037-A1 Heterocyclic compounds and uses thereof VALEANT PHARMA POLAND SPOLKA Z ORGANICZONA ODPOWIEDZIALNOSCIA (PL) 2004-02-26 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 (4 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 KDM4E 3009/4885MAPT 105/4885MAPK1 2651/4885
US-20110039900-A1 ISOTHIOZOLES FOR TREATING CONDITIONS OF THE EYE ALDH1A2, EYA3, TST KDM4E 3515/4885MAPT 1034/4885MAPK1 4328/4885
US-20040039037-A1 Heterocyclic compounds and uses thereof MAP3K1, MAP3K20, MAP4K2 KDM4E 2204/4885MAPT 2511/4885MAPK1 26/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP KDM4E 3212/4885MAPT 62/4885MAPK1 1985/4885

“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.