SCHEMBL10090174

SCHEMBL10090174

COCCNC(=O)COc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
HPGD P15428 3/20 0.66
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ATM Q13315 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL9868600 0.84 CYP1A2 (0.89) CYP1A2CYP2C9CYP2C19HPGDTSHR
SCHEMBL22669498 0.84 MEN1 (0.67) CYP1A2CYP2C9CYP2C19KDM4EKMT2A
SCHEMBL10436951 0.84 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HPGDTSHR
Hydrochloric Acid SCHEMBL9867897 0.83 CYP1A2 (0.86) CYP1A2CYP2C9CYP2C19HPGDTSHR
SCHEMBL10090423 0.83 RAB9A (0.70) CYP1A2CYP2C9CYP2C19KDM4EKMT2A
SCHEMBL2554470 0.82 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19HPGDTSHR
SCHEMBL11876820 0.82 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19KDM4EKMT2A
SCHEMBL23383748 0.81 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HPGDTSHR
SCHEMBL27754995 0.81 RAB9A (0.67) HPGDTSHRKDM4EKMT2AMEN1
SCHEMBL8846760 0.80 MEN1 (0.61) CYP1A2CYP2C9CYP2C19KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 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 (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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS CYP1A2 3761/4885CYP2C9 3181/4885CYP2C19 2856/4885

“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.