SCHEMBL7218544

SCHEMBL7218544

CCCCc1nc(-c2ccc(C(=O)OC)cc2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.53
DGAT1 O75907 1/20 0.49
RAB9A P51151 2/20 0.46
TLR8 Q9NR97 1/20 0.46
LMNA P02545 2/20 0.45
GRK6 P43250 1/20 0.44
AOC3 Q16853 2/20 0.44
HPGDS O60760 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALPL P05186 1/20 0.43
NPC1 O15118 1/20 0.42
CASP1 P29466 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP4A11 Q02928 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 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
SCHEMBL7213157 0.85 RARB (0.55) DDX3XDGAT1RAB9ALMNAAOC3
SCHEMBL7658956 0.77 DDX3X (0.50) DDX3XDGAT1RAB9ALMNAAOC3
SCHEMBL1899895 0.77 NR1H2 (0.58) DDX3XRAB9ALMNAAOC3NPC1
SCHEMBL7654725 0.76 ROCK2 (0.53) DDX3XRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL12656086 0.74 RARB (0.68) MAPTSMN1; SMN2ALDH1A1CYP4A11
SCHEMBL9694892 0.74 RARB (0.64) RAB9ATLR8LMNAMAPTSMN1; SMN2
SCHEMBL26108539 0.73 ADORA2A (0.47) DDX3XRAB9ALMNANPC1
Hexane SCHEMBL28004600 0.73 MGLL (0.63) RAB9ALMNAMAPK1MAPTSMN1; SMN2
SCHEMBL4788257 0.73 ROCK2 (0.56) HPGDS
SCHEMBL1792416 0.72 CYP4A11 (0.74) RAB9AMAPTSMN1; SMN2NPC1CASP1

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 DDX3X 2915/4885DGAT1 1572/4885RAB9A 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.