SCHEMBL7214955

SCHEMBL7214955

CCCCc1noc(-c2ccc(C(=O)OC)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 5/20 0.54
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
S1PR1 P21453 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR8 Q9NR97 1/20 0.45
SMPD1 P17405 3/20 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
SCHEMBL7214906 0.85 ALDH1A1 (0.57) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7213208 0.78 SPHK2 (0.48) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL7340382 0.77 S1PR1 (0.57) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL1169327 0.76 MAPT (0.64) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL10013490 0.74 MAPT (0.69) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL3674243 0.74 MAPT (0.69) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL2357284 0.74 MAPT (0.53) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL6423837 0.73 SPHK1 (0.65) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL26090394 0.73 NPC1 (0.53) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL12656086 0.73 RARB (0.68) MAPTALDH1A1SMN1; SMN2KMT2A

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-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

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 MAPT 4755/4885NPC1 531/4885RAB9A 3323/4885

“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.