SCHEMBL3605131

SCHEMBL3605131

COc1ccc(-c2sc(C(=O)O)cc2-c2nnn(C)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.54
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
MAPK14 Q16539 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MGLL Q99685 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
EP300 Q09472 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3601669 0.88 MAPK1 (0.50) OPRD1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3613736 0.87 MAPK14 (0.46) OPRD1MAPK14SMN1; SMN2KDM4EALDH1A1
SCHEMBL3609477 0.87 MAPK14 (0.58) OPRD1MAPK14KDM4EALDH1A1LMNA
SCHEMBL3606449 0.82 MAPK8 (0.43) OPRD1MAPK8MAPK10SMN1; SMN2KDM4E
SCHEMBL3606735 0.81 TRPM8 (0.41) MAPK8MAPK10SMN1; SMN2KDM4EALDH1A1
SCHEMBL7899259 0.80 OPRD1 (0.81) OPRD1MAPK14SMN1; SMN2KDM4EALDH1A1
SCHEMBL3609536 0.80 OPRD1 (0.54) OPRD1MAPK14SMN1; SMN2KDM4EALDH1A1
SCHEMBL3605195 0.79 TRPM8 (0.55) MAPK14KDM4EALDH1A1LMNACSNK2A1
SCHEMBL3608687 0.78 MAPK8 (0.42) OPRD1MAPK8MAPK10SMN1; SMN2KDM4E
SCHEMBL3614033 0.78 MAPK8 (0.37) MAPK8MAPK10MAPK14SMN1; SMN2KDM4E

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-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 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 (3 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 OPRD1 326/4885MAPK8 4025/4885MAPK10 3488/4885
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 OPRD1 274/4885MAPK8 3009/4885MAPK10 3344/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 OPRD1 812/4885MAPK8 2184/4885MAPK10 2167/4885

“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.