SCHEMBL10253529

SCHEMBL10253529

Cc1cnc(NC(=O)c2ccc(Cl)c(C)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.67
▸ NPC1 O15118 9/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ POLB P06746 1/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ LMNA P02545 1/20 0.55
▸ AHR P35869 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ TAS1R2 Q8TE23 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51

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
SCHEMBL15426983 0.84 SMN1; SMN2 (0.66) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL10252930 0.83 STAT3 (0.80) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL233270 0.80 SMN1; SMN2 (0.75) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL2949867 0.80 SMN1; SMN2 (0.62) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL25142712 0.79 RAB9A (0.55) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL25142778 0.78 SMN1; SMN2 (0.57) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL27134454 0.78 RAB9A (0.60) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL343933 0.78 RAB9A (0.58) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8554959 0.78 RAB9A (0.70) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL31110024 0.77 SMN1; SMN2 (0.56) RAB9ANPC1MEN1KMT2APOLB

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 RAB9A 3418/4885NPC1 3834/4885MEN1 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.

Send feedback