SCHEMBL4886740

SCHEMBL4886740

CCc1nc(CCOCc2ccccc2)[nH]c1Sc1cc(Cl)cc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.35
CCNE2 O96020 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
GHSR Q92847 1/20 0.33
GRM5 P41594 2/20 0.32
MAOB P27338 2/20 0.31
MCHR1 Q99705 1/20 0.31
CNR1 P21554 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL14153969 0.89 ALDH1A1 (0.35) KCNH2ALDH1A1GHSRMAOBMAOA
SCHEMBL4884251 0.85 ALDH1A1 (0.31) ALDH1A1GHSRGRM5MAOB
SCHEMBL4892377 0.85 GHSR (0.37) KCNH2ALDH1A1GHSRMAOB
SCHEMBL14154012 0.79 MRGPRX4 (0.32) KCNH2ALDH1A1GRM5
SCHEMBL4883328 0.79 TSHR (0.33) KCNH2ALDH1A1GHSRGRM5MAOB
SCHEMBL4883225 0.76 GHSR (0.34) KCNH2GHSRGRM5MAOB
SCHEMBL6971891 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4891153 0.72 KCNH2 (0.39) KCNH2
SCHEMBL4892334 0.72 ALDH1A1 (0.34) ALDH1A1GHSRMAOBMAOA
SCHEMBL4894124 0.72 L3MBTL1 (0.33) ALDH1A1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
EP-1838679-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS Pfizer Limited (GB) 2007-10-03 EP disclosed
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 WO 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-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A KCNH2 3790/4885ALDH1A1 216/4885CCNE2 879/4885

“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.