SCHEMBL7213208

SCHEMBL7213208

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 2/20 0.46
MLYCD O95822 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCHR1 Q99705 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL7218628 0.81 TP53 (0.53) MAPTSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3678875 0.80 MCHR1 (0.59) MLYCDNPC1RAB9AMCHR1HDAC6
SCHEMBL3669916 0.79 HDAC4 (0.53) MLYCDMCHR1HDAC6HDAC4
SCHEMBL7214906 0.79 ALDH1A1 (0.57) SPHK1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7214955 0.78 MAPT (0.55) SPHK1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9784503 0.76 PLK1 (0.60) MLYCDNPC1HPGDRAB9AMEN1
SCHEMBL7218632 0.76 SPHK1 (0.46) SPHK2SPHK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16965137 0.72 LMNA (0.53) SPHK2MLYCDMCHR1HDAC6HDAC4
SCHEMBL17865780 0.72 MLYCD (0.77) MLYCDALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL21528775 0.72 GCGR (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 6 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 claimed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 US claimed
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed
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 SPHK2 3483/4885SPHK1 2888/4885MLYCD 2637/4885

“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.