SCHEMBL7215002

SCHEMBL7215002

CCCCc1noc(-c2ccc(/C=C/C(=O)NCC3CCCC3(C)C)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
HPGD P15428 2/20 0.37
HDAC1 Q13547 4/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SELP P16109 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SELE P16581 1/20 0.35

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
SCHEMBL7215007 1.00 SPHK1 (0.42) SPHK1HPGDHDAC1CHRM2CHRM4
SCHEMBL8711396 0.91 SPHK1 (0.41) SPHK1HPGDHDAC1CHRM2CHRM4
SCHEMBL7219298 0.76 HPGD (0.45) HPGDHDAC1KDM4EALDH1A1RAB9A
SCHEMBL7219294 0.76 HPGD (0.45) HPGDHDAC1KDM4EALDH1A1RAB9A
SCHEMBL7219858 0.73 HPGD (0.43) HPGDHDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7219859 0.73 HPGD (0.43) HPGDHDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7213375 0.72 NPC1 (0.44) HPGDHDAC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7213372 0.72 NPC1 (0.44) HPGDHDAC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7213194 0.69 MAPK14 (0.52) SPHK1RAB9A
SCHEMBL7214965 0.68 NPC1 (0.41) HPGDALDH1A1RAB9ASMN1; SMN2NPC1

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 SPHK1 2888/4885HPGD 732/4885HDAC1 401/4885

“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.