SCHEMBL19475083

SCHEMBL19475083

CCN1CCc2c(sc(N)c2C(=O)NCc2ccc(C)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.67
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 3/20 0.60
GAA P10253 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 2/20 0.45

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
SCHEMBL19475235 0.91 ADORA1 (0.81) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL20915168 0.82 MAPT (0.64) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL19475101 0.80 ADORA1 (0.60) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL19475192 0.79 MAPT (0.66) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL19475086 0.78 KMT2A (0.50) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL6993570 0.76 ADORA1 (0.84) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL10862455 0.76 MAPT (0.80) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL4709539 0.76 MAPT (1.00) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL17018755 0.76 MAPT (0.80) ADORA1KMT2AMEN1MAPTHPGD
SCHEMBL6993930 0.74 MAPT (0.72) ADORA1KMT2AMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647725-B2 Anti-infective 2-aminothiophenes THE UNIVERSITY OF TOLEDO (US) 2020-05-12 US disclosed
US-20190119296-A1 Anti-Infective 2-Aminothiophenes THE UNIVERSITY OF TOLEDO (US) 2019-04-25 US disclosed
WO-2017184947-A1 ANTI-INFECTIVE 2-AMINOTHIOPHENES THE UNIVERSITY OF TOLEDO (US) 2017-10-26 WO 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 (2 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-20190119296-A1 Anti-Infective 2-Aminothiophenes TST, ABAT, TPMT ADORA1 3371/4885KMT2A 1592/4885MEN1 3808/4885
US-10647725-B2 Anti-infective 2-aminothiophenes TST, ABAT, TPMT ADORA1 3371/4885KMT2A 1592/4885MEN1 3808/4885

“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.