SCHEMBL10253103

SCHEMBL10253103

Cc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.76
RAB9A P51151 10/20 0.76
MEN1 O00255 7/20 0.76
KMT2A Q03164 7/20 0.76
MAPT P10636 3/20 0.76
THRB P10828 1/20 0.76
MAPK9 P45984 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
STAT3 P40763 9/20 0.74
PKM P14618 5/20 0.73
POLB P06746 3/20 0.60
NSUN3 Q9H649 1/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL12974212 0.86 NPC1 (0.78) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29908278 0.86 NPC1 (0.78) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11149506 0.86 KMT2A (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28573489 0.85 STAT3 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29908288 0.85 STAT3 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL22680776 0.85 NPC1 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1804666 0.84 NPC1 (0.76) NPC1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL28423065 0.84 NPC1 (0.74) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12974237 0.83 NPC1 (0.69) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8463100 0.82 MEN1 (0.65) NPC1RAB9AMEN1KMT2AMAPT

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 3418/4885MEN1 2908/4885

“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.