SCHEMBL6171748

SCHEMBL6171748

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4[nH]ccc4c3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALOX5 P09917 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ FZD7 O75084 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35

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 0.87 RAB9A (0.50) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL27583802 0.84 KMT2A (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL27601320 0.83 MEN1 (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6174792 0.83 MEN1 (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6173268 0.83 RAB9A (0.43) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6174882 0.82 POLB (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6174454 0.82 MAPT (0.44) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6172214 0.82 MAPT (0.51) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL6174368 0.82 KMT2A (0.42) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6174481 0.82 RAB9A (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1

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-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 — — US claimed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 — — EP claimed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 — — US claimed
CN-1473157-A Amide derivatives ֮����ҩ��ʽ���� 2004-02-04 — — CN claimed
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
CN-1473157-A Amide derivatives ֮����ҩ��ʽ���� 2004-02-04 — — CN 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 1475/4885NPC1 3690/4885KMT2A 111/4885

“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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