SCHEMBL4585823

SCHEMBL4585823

Cc1snc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
TDP1 Q9NUW8 2/20 0.38
AKT2 P31751 2/20 0.38
BRD4 O60885 2/20 0.38
CHEK1 O14757 1/20 0.38
BRD2 P25440 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM1 Q13255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL4586818 0.89 KMT2A (0.39) PTGS1PTGS2KDM4EHPGDSMN1; SMN2
SCHEMBL4586736 0.89 ALDH1A1 (0.45) PTGS1PTGS2TDP1KDM4ESMN1; SMN2
SCHEMBL4586151 0.87 ALDH1A1 (0.53) PTGS2TDP1KDM4EHPGDSMN1; SMN2
SCHEMBL4587361 0.84 PTGS2 (0.53) PTGS1PTGS2
SCHEMBL4587680 0.83 PTGS2 (0.59) PTGS1PTGS2L3MBTL1LMNA
SCHEMBL19053583 0.81 GRM1 (0.44) PTGS1PTGS2TDP1KDM4EHPGD
SCHEMBL21105019 0.75 PTGS2 (0.48) PTGS1PTGS2KDM4EHPGDKMT2A
SCHEMBL20034001 0.75 GCGR (0.44) PTGS1PTGS2AKT2BRD4CHEK1
SCHEMBL11948735 0.73 ADORA1 (0.47) CHEK1KDM4EKMT2AMEN1LMNA
SCHEMBL11789345 0.73 PDE10A (0.49) KDM4ESMN1; SMN2GRM1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11345688-B2 Compound, preparing method therefor, and organic light emitting element comprising same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-05-31 US disclosed
US-20190189933-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ELECTRON TRANSPORT DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2019-06-20 US disclosed
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 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 (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-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 PTGS1 31/4885PTGS2 152/4885TDP1 2261/4885
US-11345688-B2 Compound, preparing method therefor, and organic light emitting element comprising same CYP4F11, CYP4A11, WEE2 PTGS1 821/4885PTGS2 1441/4885TDP1 4379/4885

“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.