SCHEMBL8445010

SCHEMBL8445010

COc1ccc(CSc2ncnn2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
TSHR P16473 5/20 0.52
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 1/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MAOA P21397 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
SCHEMBL9340394 0.83 POLB (0.64) DAOTSHRALDH1A1KMT2ALMNA
SCHEMBL8446039 0.76 ALDH1A1 (0.70) TSHRALDH1A1HPGDKMT2AHSD17B10
SCHEMBL10349846 0.75 HTT (0.45) TSHRALDH1A1HTTNPSR1L3MBTL1
SCHEMBL20759253 0.72 DAO (0.53) DAOTSHRALDH1A1HPGDKMT2A
SCHEMBL6635396 0.71 HTT (0.52) ALDH1A1LMNAHTTNPSR1L3MBTL1
SCHEMBL8446083 0.70 NPC1 (0.48) DAOTSHRALDH1A1HPGDKMT2A
SCHEMBL24167317 0.70 MAOB (0.47) DAOTSHRALDH1A1HPGDKMT2A
SCHEMBL14554951 0.70 DAO (1.00) DAOTSHRALDH1A1KMT2ALMNA
SCHEMBL31180685 0.70 DAO (0.50) DAOTSHRLMNAAPPMAOA
SCHEMBL3228582 0.69 APP (0.82) DAOTSHRALDH1A1KMT2AAPP

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
US-20220079924-A1 GLUCOCORTICOID RECEPTOR MODULATORS ORIC PHARMACEUTICALS, INC. 2022-03-17 US disclosed
EP-0594263-B1 INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES SHIONOGI & CO (JP) 1999-06-09 EP disclosed
CN-1034504-C Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1997-04-09 CN disclosed
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 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 (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-20220079924-A1 GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 DAO 4677/4885TSHR 149/4885ALDH1A1 3599/4885

“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.