SCHEMBL7218632

SCHEMBL7218632

CCCCc1noc(-c2ccc(C(=O)NCC3CCCCC3C)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.46
MCHR1 Q99705 1/20 0.43
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL7213208 0.76 SPHK2 (0.48) SPHK1MCHR1SMN1; SMN2KDM4ENPC1
SCHEMBL7214906 0.74 ALDH1A1 (0.57) SPHK1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7214955 0.73 MAPT (0.55) SPHK1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7213322 0.71 TAOK1 (0.51)
SCHEMBL7215007 0.67 SPHK1 (0.42) SPHK1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7215002 0.67 SPHK1 (0.42) SPHK1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL6423837 0.66 SPHK1 (0.65) SPHK1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL14640895 0.65 SPHK1 (0.48) SPHK1MCHR1HDAC6HDAC4SPHK2
SCHEMBL7213194 0.65 MAPK14 (0.52) SPHK1MAPK14RAB9AHDAC6
SCHEMBL22116853 0.65 HDAC6 (0.52) SPHK1MCHR1SMN1; SMN2KDM4ENPC1

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 SPHK1 2888/4885MCHR1 1495/4885MAPK14 2213/4885

“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.