SCHEMBL3609536

SCHEMBL3609536

COc1ccc(-c2sc(C(=O)O)cc2-c2nnnn2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.54
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 5/20 0.43
GLA P06280 2/20 0.43
PKM P14618 1/20 0.41
MAPK14 Q16539 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39
EP300 Q09472 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
GABRA1 P14867 1/20 0.37

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
SCHEMBL3596790 0.88 MAPT (0.44) OPRD1ALDH1A1KDM4EGLARAB9A
SCHEMBL3613039 0.87 KDM4E (0.43) OPRD1ALDH1A1KMT2AHSD11B1KDM4E
SCHEMBL3602177 0.86 MAPK14 (0.57) OPRD1ALDH1A1MAPK14HPGDPTGS1
SCHEMBL3603115 0.82 ALDH1A1 (0.45) OPRD1ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL3613774 0.81 HSD11B1 (0.47) ALDH1A1KMT2AHSD11B1KDM4ERAB9A
SCHEMBL7899259 0.80 OPRD1 (0.81) OPRD1ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL3605131 0.80 OPRD1 (0.54) OPRD1ALDH1A1KDM4EGLAPKM
SCHEMBL3601335 0.79 CSNK1D (0.47) ALDH1A1KDM4EMAPK14RAB9ASMN1; SMN2
SCHEMBL3603100 0.78 NPC1 (0.40) OPRD1ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL3612431 0.78 SMN1; SMN2 (0.41) ALDH1A1KMT2AKDM4EGLAPKM

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-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
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 OPRD1 274/4885ALDH1A1 4295/4885KMT2A 4407/4885

“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.