SCHEMBL6171738

SCHEMBL6171738

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4c(c3)NCC4)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ GRM1 Q13255 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ROCK1 Q13464 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ SLC6A9 P48067 3/20 0.35
▸ FZD7 O75084 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 SCHEMBL6174507 0.99 KMT2A (0.40) KMT2AMEN1RAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL6172863 0.95 KMT2A (0.39) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL27601304 0.89 ALDH1A1 (0.40) KMT2AMEN1RAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL6174327 0.89 ALDH1A1 (0.39) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL6173268 0.87 RAB9A (0.43) KMT2AMEN1RAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL6173338 0.85 RAB9A (0.50) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL6173253 0.84 RAB9A (0.40) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL27601474 0.83 KMT2A (0.41) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL6173935 0.82 ALDH1A1 (0.43) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL27583802 0.82 KMT2A (0.48) KMT2AMEN1RAB9AALDH1A1GAA

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-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
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 — — EP 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 KMT2A 111/4885MEN1 4073/4885RAB9A 1475/4885

“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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