SCHEMBL6173268

SCHEMBL6173268

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4c(c3)CCC4)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ GCGR P47871 6/20 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
SCHEMBL27601304 0.89 ALDH1A1 (0.40) RAB9AALDH1A1NPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL6172863 0.88 KMT2A (0.39) RAB9AALDH1A1NPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL6174327 0.88 ALDH1A1 (0.39) RAB9AALDH1A1NPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL6173338 0.88 RAB9A (0.50) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL6171738 0.87 KMT2A (0.41) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL6173253 0.86 RAB9A (0.40) RAB9AALDH1A1NPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL6174507 0.86 KMT2A (0.40) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL27601474 0.86 KMT2A (0.41) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL27583802 0.85 KMT2A (0.48) RAB9AALDH1A1NPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL6173065 0.85 NAMPT (0.39) RAB9AALDH1A1NPC1KMT2AMEN1

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 RAB9A 1475/4885ALDH1A1 3774/4885NPC1 3690/4885

“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.

Send feedback