SCHEMBL7213166

SCHEMBL7213166

CC(C)(C)CCNC(=O)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.71
NAMPT P43490 2/20 0.57
SSTR3 P32745 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HDAC6 Q9UBN7 4/20 0.52
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL17865780 0.91 MLYCD (0.77) MLYCDNAMPTNPC1RAB9AALDH1A1
SCHEMBL12243059 0.84 MLYCD (0.69) MLYCDNPC1RAB9AHDAC6KMT2A
SCHEMBL5687748 0.84 MLYCD (0.69) MLYCDNAMPTNPC1RAB9AHDAC6
SCHEMBL8270501 0.83 HDAC3 (0.65) MLYCDSSTR3HDAC6ALDH1A1
SCHEMBL19938019 0.83 MLYCD (0.67) MLYCDNAMPTNPC1RAB9AHDAC6
SCHEMBL20868189 0.83 MLYCD (0.62) MLYCDNAMPTSSTR3KMT2AMEN1
SCHEMBL10224050 0.82 MLYCD (0.66) MLYCDNAMPTNPC1RAB9APOLB
SCHEMBL3669916 0.82 HDAC4 (0.53) MLYCDHDAC6
SCHEMBL9784573 0.81 MLYCD (0.65) MLYCDNAMPTNPC1RAB9AL3MBTL1
SCHEMBL8349985 0.80 ALDH1A1 (0.73) NAMPTNPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 US disclosed
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO 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-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 MLYCD 2637/4885NAMPT 559/4885SSTR3 3413/4885

“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.