SCHEMBL923338

SCHEMBL923338

CCSc1ccc(Oc2ccc(C#N)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
SLC6A4 P31645 3/20 0.43
HTR2A P28223 2/20 0.43
AR P10275 3/20 0.40
MERTK Q12866 1/20 0.39
PGR P06401 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL922829 0.84 HTR2A (0.43) KCNH2SLC6A4HTR2AARMERTK
SCHEMBL920360 0.82 CNR2 (0.34) KCNH2SLC6A4HTR2AARCNR2
SCHEMBL920089 0.78 ST14 (0.50) MAOBCNR2MMP14
SCHEMBL14833394 0.76 HTR2A (0.56) KCNH2SLC6A4HTR2AARMERTK
SCHEMBL11093623 0.76 FFAR1 (0.46) KCNH2SLC6A4HTR2AARCYP19A1
SCHEMBL922673 0.75 HTR2A (0.52) KCNH2SLC6A4HTR2AMERTKPGR
SCHEMBL13890483 0.73 AR (0.56) KCNH2SLC6A4HTR2AARMERTK
SCHEMBL921520 0.72 PGR (0.48) KCNH2SLC6A4HTR2APGRPARP15
SCHEMBL9889460 0.72 HTR2A (0.46) KCNH2SLC6A4HTR2AARMERTK
SCHEMBL10958679 0.71 KDM4E (0.39) KCNH2SLC6A4HTR2AARKDM4E

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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KCNH2 2433/4885SLC6A4 2590/4885HTR2A 4680/4885

“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.