SCHEMBL6174603

SCHEMBL6174603

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4c(c3)NC(=O)CO4)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ ALDH1A1 P00352 9/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NR3C2 P08235 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NR3C1 P04150 3/20 0.39

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
SCHEMBL6173935 0.86 ALDH1A1 (0.43) MAPTALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL6174882 0.85 POLB (0.49) MAPTALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL6172214 0.85 MAPT (0.51) MAPTALDH1A1SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL6173338 0.82 RAB9A (0.50) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL6171738 0.82 KMT2A (0.41) MAPTALDH1A1SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL6174507 0.81 KMT2A (0.40) MAPTALDH1A1SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL6172863 0.80 KMT2A (0.39) MAPTALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL27583802 0.80 KMT2A (0.48) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL6173268 0.80 RAB9A (0.43) MAPTALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL6171748 0.79 RAB9A (0.43) MAPTALDH1A1SMN1; SMN2GAAMEN1

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 MAPT 1746/4885ALDH1A1 3774/4885HPGD 3026/4885

“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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