SCHEMBL10286992

SCHEMBL10286992

O=Nc1cnc(NC(=O)c2ccc(Br)s2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.57
NPC1 O15118 13/20 0.57
MEN1 O00255 13/20 0.57
RAB9A P51151 12/20 0.57
CASP3 P42574 4/20 0.52
SENP7 Q9BQF6 4/20 0.52
SENP8 Q96LD8 3/20 0.51
SENP6 Q9GZR1 3/20 0.51
SMN1; SMN2 Q16637 8/20 0.50
HTT P42858 5/20 0.50
LMNA P02545 3/20 0.50
MITF O75030 1/20 0.50
HPGD P15428 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 4/20 0.47

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
SCHEMBL10286990 0.81 NPC1 (0.67) KMT2ANPC1MEN1RAB9ACASP3
SCHEMBL10253378 0.80 NPC1 (0.76) KMT2ANPC1MEN1RAB9ACASP3
SCHEMBL27134428 0.77 NPC1 (0.62) KMT2ANPC1MEN1RAB9AHPGD
SCHEMBL5836867 0.77 CDK2 (0.61) KMT2ANPC1MEN1RAB9ACASP3
SCHEMBL375564 0.76 NPC1 (0.69) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL24073708 0.75 KDR (0.64) KMT2ANPC1MEN1RAB9ACASP3
SCHEMBL25063129 0.74 CSNK2A2 (0.53) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL24072715 0.73 TRPV1 (0.45) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL12697305 0.72 MEN1 (0.50) KMT2AMEN1LMNAMAPT
SCHEMBL19632762 0.72 STAT3 (0.61) KMT2ANPC1MEN1RAB9ASMN1; SMN2

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 KMT2A 4279/4885NPC1 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.