SCHEMBL4877765

SCHEMBL4877765

CCn1c(COC(N)=O)nc(C(F)(F)F)c1Sc1cc(Cl)cc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
SLC2A1 P11166 9/20 0.32
SLC2A3 P11169 9/20 0.32
SLC2A4 P14672 9/20 0.32
P2RY12 Q9H244 4/20 0.32
SLC2A2 P11168 4/20 0.31
POLB P06746 1/20 0.31
ADRB2 P07550 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL4902680 0.94 ALDH1A1 (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4875978 0.86 KCNH2 (0.33) SMN1; SMN2ALDH1A1POLBADRB2HTT
SCHEMBL4884136 0.85 SMN1; SMN2 (0.31) SMN1; SMN2MEN1KMT2AL3MBTL1POLB
SCHEMBL4879792 0.83
SCHEMBL4902450 0.79 HTR2C (0.32) L3MBTL1HTT
SCHEMBL4875980 0.78 TSHR (0.33) SMN1; SMN2POLBADRB2HTT
SCHEMBL4896675 0.78 TLR7 (0.31) HTT
SCHEMBL4895868 0.77 AOC3 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL4902728 0.76 ACSS2 (0.32) ALDH1A1
SCHEMBL14154039 0.75

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 SMN1; SMN2 1992/4885MEN1 4453/4885KMT2A 1074/4885

“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.