SCHEMBL19475102

SCHEMBL19475102

O=C(c1csnn1)c1csnn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 3/20 0.47
THRB P10828 2/20 0.44
MAPT P10636 9/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5550856 0.82 ALDH1A1 (0.42) ALDH1A1ATML3MBTL1LMNATHRB
SCHEMBL243344 0.82
SCHEMBL157088 0.80
SCHEMBL11392166 0.75
SCHEMBL6986795 0.73 MAPT (0.59) ALDH1A1ATML3MBTL1LMNATHRB
SCHEMBL14761253 0.72 ALDH1A1 (0.44) ALDH1A1ATML3MBTL1LMNATHRB
SCHEMBL3682633 0.72
SCHEMBL7082252 0.68 ALDH1A1 (0.41) ALDH1A1ATML3MBTL1LMNATHRB
SCHEMBL10534064 0.67 MAPT (0.48) ALDH1A1ATML3MBTL1LMNATHRB
SCHEMBL10419063 0.67 MAPT (0.48) ALDH1A1ATML3MBTL1LMNATHRB

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 10 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 claimed
US-20190119296-A1 Anti-Infective 2-Aminothiophenes THE UNIVERSITY OF TOLEDO (US) 2019-04-25 US claimed
WO-2017184947-A1 ANTI-INFECTIVE 2-AMINOTHIOPHENES THE UNIVERSITY OF TOLEDO (US) 2017-10-26 WO claimed
CN-114573485-A Method for synthesizing alkynyl alkyl thioether 华南理工大学 2022-06-03 CN disclosed
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
CN-102827167-A Octahydro-pyrrolo [3,4-b ] pyrrole derivatives and their use as histamine-3 receptor ligands ABBOTT LAB 2012-12-19 CN disclosed
CN-1059439-C Arylthiadiazolones with herbicidal activity ISAGRO RICERCA SRL (IT) 2000-12-13 CN disclosed
CN-1160046-A Arylthiadiazolones with herbicidal activity ISAGRO RICERCA SRL (IT) 1997-09-24 CN 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 ALDH1A1 2316/4885ATM 3936/4885L3MBTL1 507/4885
US-10647725-B2 Anti-infective 2-aminothiophenes TST, ABAT, TPMT ALDH1A1 2316/4885ATM 3936/4885L3MBTL1 507/4885

“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.