SCHEMBL10287176

SCHEMBL10287176

O=Nc1cnc(NC(=O)c2cc3ccccc3[nH]2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ IDO1 P14902 1/20 0.52
▸ GAA P10253 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GPER1 Q99527 1/20 0.47
▸ EGFR P00533 6/20 0.47
▸ PIK3CA P42336 6/20 0.47
▸ FAAH O00519 1/20 0.47
▸ PYGL P06737 1/20 0.47
▸ MGAM O43451 3/20 0.45
▸ SI P14410 3/20 0.45
▸ MGAM2 Q2M2H8 3/20 0.45
▸ SCN5A Q14524 1/20 0.44

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
SCHEMBL10253049 0.83 NPC1 (0.57) NPC1RAB9ALMNASMN1; SMN2IDO1
SCHEMBL375488 0.79 STAT3 (0.58) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL24073708 0.78 KDR (0.64) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL8558332 0.75 HSPA5 (0.71) NPC1RAB9ALMNASMN1; SMN2IDO1
SCHEMBL29904487 0.75 NPC1 (0.58) NPC1RAB9ALMNASMN1; SMN2IDO1
SCHEMBL29904457 0.75 HSPA5 (0.71) NPC1RAB9ALMNASMN1; SMN2IDO1
SCHEMBL24073673 0.72 KDM4E (0.58) NPC1RAB9AKDM4EALDH1A1
SCHEMBL19632762 0.72 STAT3 (0.61) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL27135218 0.72 CYP1A2 (0.55) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL27134415 0.72 RAB9A (0.44) NPC1RAB9ALMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 — — 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-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 NPC1 3834/4885RAB9A 3418/4885LMNA 3713/4885

“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.

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