SCHEMBL2538430

SCHEMBL2538430

Cc1ccc(CNc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.67
P2RY14 Q15391 2/20 0.57
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.51
IP6K1 Q92551 1/20 0.50

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
SCHEMBL2541690 0.89 QPCT (0.54) QPCTP2RY14NPC1RAB9AKDM4E
SCHEMBL2536231 0.86 QPCT (0.67) QPCTP2RY14SMN1; SMN2IP6K1
SCHEMBL2539376 0.86 QPCT (0.67) QPCTP2RY14NPC1RAB9ASMN1; SMN2
SCHEMBL2541359 0.85 QPCT (0.69) QPCTP2RY14NPC1RAB9AKDM4E
SCHEMBL24821371 0.84 ADRA2A (0.51) QPCTP2RY14RAB9AKDM4ESMN1; SMN2
SCHEMBL2542456 0.81 CYP3A4 (0.61) QPCTP2RY14KDM4EALDH1A1MAPT
SCHEMBL14550820 0.81 IP6K1 (0.77) QPCTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2540163 0.80 QPCT (0.71) QPCTRAB9AKDM4EALDH1A1MAPT
SCHEMBL12633978 0.79 QPCT (0.53) QPCTP2RY14KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12257241 0.79 ADRA2A (0.54) QPCTP2RY14KDM4EMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 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 (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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885P2RY14 2607/4885NPC1 4532/4885

“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.