SCHEMBL7218628

SCHEMBL7218628

CCCCc1nc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
HDAC4 P56524 8/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HDAC1 Q13547 2/20 0.48
RAB9A P51151 1/20 0.48
KLF5 Q13887 1/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48

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
SCHEMBL24325677 0.90 S1PR2 (0.53) TP53SMN1; SMN2MAPTLMNAHPGD
SCHEMBL24325678 0.83 S1PR2 (0.50) TP53SMN1; SMN2MAPTLMNAHPGD
SCHEMBL26691022 0.83 MAPT (0.51) TP53SMN1; SMN2MAPTLMNAHPGD
Hydrochloric Acid SCHEMBL29496351 0.82 S1PR2 (0.49) TP53SMN1; SMN2MAPTLMNAHPGD
SCHEMBL29496353 0.82 HDAC4 (0.49) TP53SMN1; SMN2MAPTLMNAHPGD
SCHEMBL7213208 0.81 SPHK2 (0.48) TP53SMN1; SMN2MAPTHPGDNPC1
SCHEMBL26887395 0.81 S1PR2 (0.53) TP53SMN1; SMN2MAPTLMNAHPGD
SCHEMBL26690956 0.81 S1PR2 (0.53) MAPTHPGDS1PR2S1PR1S1PR3
SCHEMBL29496286 0.81 S1PR2 (0.48) TP53SMN1; SMN2MAPTLMNAHPGD
Hydrochloric Acid SCHEMBL29496229 0.81 S1PR2 (0.52) TP53SMN1; SMN2MAPTLMNAHPGD

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 TP53 4875/4885SMN1; SMN2 917/4885MAPT 4755/4885

“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.