SCHEMBL10253049

SCHEMBL10253049

Cc1cnc(NC(=O)c2cc3ccccc3[nH]2)s1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ LMNA P02545 1/20 0.56
▸ PKM P14618 2/20 0.55
▸ IDO1 P14902 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ EGFR P00533 3/20 0.52
▸ PIK3CA P42336 3/20 0.52
▸ GAA P10253 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HTR2C P28335 1/20 0.50
▸ GPER1 Q99527 1/20 0.49

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
SCHEMBL10287176 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL375488 0.81 STAT3 (0.58) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL29904487 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL29904457 0.77 HSPA5 (0.71) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL8558332 0.77 HSPA5 (0.71) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL1270133 0.77 SMN1; SMN2 (0.75) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL17732532 0.74 TMIGD3 (0.62) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL19476162 0.73 NPC1 (0.64) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL19476086 0.73 NPC1 (0.64) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL19476163 0.73 NPC1 (0.78) NPC1RAB9ASMN1; SMN2KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 — — US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 — — US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 — — US disclosed
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 3418/4885SMN1; SMN2 3853/4885

“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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