SCHEMBL5824871

SCHEMBL5824871

O=C(N=C=S)c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
SRD5A2 P31213 1/20 0.44
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRB2 P47870 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL31091057 1.00 TSHR (0.53) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4643747 0.84 TSHR (0.55) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10643675 0.83 HPGD (0.45) ALDH1A1MAPK1KDM4EKMT2AHPGD
SCHEMBL27783568 0.79 FLT1 (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL3048180 0.78 CES2 (0.52) TSHRSMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL987260 0.76 LMNA (0.51) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL13092377 0.76 SMN1; SMN2 (0.59) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL199868 0.73 CES2 (0.48) TSHRSMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL10644985 0.72 CES2 (0.39) ALDH1A1HPGDCYP3A4
SCHEMBL8065539 0.72 SMN1; SMN2 (0.71) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP disclosed
US-20220388971-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 US disclosed
WO-2021105101-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed
US-20170002015-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2017-01-05 US disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (4 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-20170002015-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 TSHR 1128/4885CASP1 4483/4885SMN1; SMN2 4527/4885
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TSHR 293/4885CASP1 2069/4885SMN1; SMN2 4616/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TSHR 394/4885CASP1 2603/4885SMN1; SMN2 4780/4885
US-20220388971-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS CYP4Z1, GSTO1, AADAC TSHR 3239/4885CASP1 726/4885SMN1; SMN2 3554/4885

“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.