SCHEMBL4875978

SCHEMBL4875978

CCc1nc(COC(N)=O)n(CC)c1Sc1cc(Cl)cc(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
ADRA1D P25100 1/20 0.32
POLB P06746 1/20 0.30
ADRB2 P07550 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL4902450 0.93 HTR2C (0.32) HTT
SCHEMBL14154039 0.89
SCHEMBL4877765 0.86 SMN1; SMN2 (0.37) POLBADRB2HTTSMN1; SMN2ALDH1A1
SCHEMBL4879837 0.84 KCNH2 (0.37) KCNH2POLBADRB2HTTSMN1; SMN2
SCHEMBL4887120 0.84 KCNH2 (0.35) KCNH2POLBADRB2HTTSMN1; SMN2
SCHEMBL14108423 0.82 KCNH2 (0.34) KCNH2
SCHEMBL4882617 0.82 KCNH2 (0.34) KCNH2
Cadaverine Tartrate SCHEMBL4875994 0.81
SCHEMBL4896675 0.80 TLR7 (0.31) HTT
SCHEMBL4902680 0.79 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1

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-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

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 3790/4885ADRA1D 829/4885POLB 13/4885

“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.