SCHEMBL13220175

SCHEMBL13220175

O=C1C(=CCc2ccccc2)SC(=S)N1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
MAPT P10636 7/20 0.54
ALDH1A1 P00352 4/20 0.54
THRB P10828 4/20 0.54
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54
DUSP22 Q9NRW4 7/20 0.53
DUSP3 P51452 1/20 0.53
RECQL P46063 4/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PSMD14 O00487 1/20 0.49
ALPG P10696 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL13220197 0.78 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL20005694 0.78 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL10035996 0.77 DUSP22 (0.77) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL9917038 0.77 DUSP22 (0.77) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL12123516 0.77 DUSP22 (0.77) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL13220174 0.76 MAPT (0.58) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL11116026 0.76 MAPT (0.60) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL13220173 0.73 POLB (0.56) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL2993239 0.72 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL14213563 0.72 MAPT (0.79) MEN1KMT2AMAPTALDH1A1THRB

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 MEN1 3585/4885KMT2A 3637/4885MAPT 3973/4885

“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.