SCHEMBL3604294

SCHEMBL3604294

COc1ccc(-c2sc(C(=O)O)cc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.56
KDM4E B2RXH2 4/20 0.44
GLA P06280 1/20 0.44
MAPK14 Q16539 1/20 0.43
ALPL P05186 2/20 0.42
CA9 Q16790 1/20 0.42
EP300 Q09472 1/20 0.42
IKBKE Q14164 2/20 0.41
TBK1 Q9UHD2 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
PRKAG1 P54619 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3598647 0.87 PIN1 (0.44) OPRD1KDM4EGLAMAPTALDH1A1
SCHEMBL3606403 0.85 MAPK14 (0.46) OPRD1KDM4EMAPK14MAPTALDH1A1
SCHEMBL3607851 0.84 MAPK14 (0.61) OPRD1MAPK14ALPLLMNAPTGS2
SCHEMBL7899259 0.82 OPRD1 (0.81) OPRD1KDM4EGLAMAPK14EP300
SCHEMBL3602742 0.81 KDM4E (0.41) KDM4EALPLALDH1A1HPGDSMN1; SMN2
SCHEMBL3606893 0.81 PDGFRB (0.44) OPRD1KDM4EMAPTALDH1A1HPGD
SCHEMBL3609536 0.77 OPRD1 (0.54) OPRD1KDM4EGLAMAPK14EP300
SCHEMBL3612660 0.76 MAPK14 (0.34) KDM4EMAPK14MAPTALDH1A1KMT2A
SCHEMBL3592626 0.76 CSNK1D (0.47) KDM4EMAPK14SMN1; SMN2PRKAA1
SCHEMBL8985362 0.76 OPRD1 (0.71) OPRD1KDM4EGLAMAPK14EP300

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 274/4885KDM4E 4236/4885GLA 765/4885

“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.