SCHEMBL16429341

SCHEMBL16429341

O=c1c2ccccc2c2c1sc1c(=O)c3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.38
ALDH1A1 P00352 9/20 0.36
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
GPR3 P46089 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 2/20 0.36
MAOA P21397 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 2/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL16429550 0.93 S100A4 (0.36) S100A4ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL17808356 0.91 ALDH1A1 (0.38) S100A4ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL16429565 0.91 ALDH1A1 (0.38) S100A4ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL15551462 0.90 S100A4 (0.42) S100A4ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL29906291 0.90 S100A4 (0.42) S100A4ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL9097659 0.87 GPR3 (0.41) S100A4ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL18193053 0.79 MAOA (0.37) S100A4ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL16745401 0.75 KDM4E (0.51) S100A4KDM4EMAOAMAOBCYP1A2
SCHEMBL16745385 0.75 RAB9A (0.44) S100A4ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL16745399 0.75 ESR2 (0.48) ALDH1A1MAPTGAAPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9876182-B2 Thieno-containing compounds and processes and uses thereof UNIVERSITY OF OREGON (US) 2018-01-23 US disclosed
US-9876182-B2 Thieno-containing compounds and processes and uses thereof UNIVERSITY OF OREGON (US) 2018-01-23 US disclosed
US-9876182-B2 Thieno-containing compounds and processes and uses thereof UNIVERSITY OF OREGON (US) 2018-01-23 US disclosed
US-20160164011-A1 THIENO-CONTAINING COMPOUNDS AND PROCESSES AND USES THEREOF UNIVERSITY OF OREGON (US) 2016-06-09 US disclosed
US-20160164011-A1 THIENO-CONTAINING COMPOUNDS AND PROCESSES AND USES THEREOF UNIVERSITY OF OREGON (US) 2016-06-09 US disclosed
US-20160164011-A1 THIENO-CONTAINING COMPOUNDS AND PROCESSES AND USES THEREOF UNIVERSITY OF OREGON (US) 2016-06-09 US disclosed
WO-2015013656-A2 THIENO-CONTAINING COMPOUNDS AND PROCESSES AND USES THEREOF UNIVERSITY OF OREGON (US) 2015-01-29 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 (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-20160164011-A1 THIENO-CONTAINING COMPOUNDS AND PROCESSES AND USES THEREOF TERT, TES, DDT S100A4 2305/4885ALDH1A1 245/4885MAPT 4115/4885

“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.