SCHEMBL3037541

SCHEMBL3037541

O=C(O)c1ccc(NN2C(=O)CSC2=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
GAA P10253 9/20 0.55
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 6/20 0.55
RECQL P46063 3/20 0.55
POLB P06746 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
THRB P10828 2/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.51
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
PLCG1 P19174 1/20 0.51
CASP6 P55212 1/20 0.51
HSD17B10 Q99714 1/20 0.48
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43

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
SCHEMBL3040357 0.83 KMT2A (0.60) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL1836733 0.83 MAPT (0.51) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL10784807 0.80 MAPT (0.47) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL6002938 0.75 MAPT (0.43) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL3030170 0.74 MAPT (0.55) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL6740798 0.74 KMT2A (0.71) MAPTGAAKMT2AALDH1A1MEN1
N-Benzoylaminorhodanine SCHEMBL8595198 0.72 MAPT (0.74) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL28120186 0.71 DDAH1 (0.53) MAPTKMT2AALDH1A1MEN1CA12
SCHEMBL6793399 0.71 ALDH1A1 (1.00) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL8356860 0.70 MAPT (1.00) MAPTGAAKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 MAPT 3973/4885GAA 162/4885KMT2A 3637/4885

“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.