SCHEMBL6073512

SCHEMBL6073512

CC(=O)Nc1ccc(OC(C)=O)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KDM4E B2RXH2 5/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
MAPK14 Q16539 2/20 0.43

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
SCHEMBL23417965 0.87 KDM4E (0.52) HDAC1HDAC6CA1CA2CA9
SCHEMBL8320072 0.85 RAB9A (0.57) HDAC1HDAC6CA1CA2CA9
SCHEMBL6498572 0.83 KDM4E (0.52) HDAC1KDM4EGAAALDH1A1HSD17B10
SCHEMBL27534609 0.82 CYP17A1 (0.52) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL1285510 0.81 KDM4E (0.54) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL3862443 0.81 NPC1 (0.61) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL10265009 0.80 CA1 (0.53) CA1CA2CA9KDM4EGAA
SCHEMBL1304336 0.79 KDM4E (0.67) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL10521125 0.78 HPGD (0.52) HDAC1HDAC6CA1CA2CA9
SCHEMBL31621879 0.78 LMNA (0.52) CA9KDM4EGAAHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 HDAC1 332/4885HDAC6 344/4885CA1 3597/4885

“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.