SCHEMBL6177498

SCHEMBL6177498

CSc1ccc(N(CC(=O)Nc2ccc(-c3csc(N)n3)cc2)C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FZD7 O75084 1/20 0.43
▸ ALOX5 P09917 2/20 0.42
▸ GRM1 Q13255 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38

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
Hydrochloric Acid SCHEMBL6173338 0.92 RAB9A (0.50) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL27583802 0.89 KMT2A (0.48) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL27601320 0.88 MEN1 (0.48) RAB9AKMT2AALDH1A1MEN1POLB
Hydrochloric Acid SCHEMBL6174792 0.87 MEN1 (0.48) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL28752208 0.86 MAPT (0.48) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL27601307 0.86 RAB9A (0.46) RAB9AKMT2AALDH1A1MEN1POLB
Hydrochloric Acid SCHEMBL6174064 0.85 RAB9A (0.45) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL6176630 0.84 RAB9A (0.65) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL6173143 0.84 KMT2A (0.44) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL6173268 0.82 RAB9A (0.43) RAB9AKMT2AALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 — — US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 — — EP disclosed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 — — US disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 — — 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 (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-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 RAB9A 1475/4885KMT2A 111/4885ALDH1A1 3774/4885

“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.

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