SCHEMBL4902680

SCHEMBL4902680

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RY12 Q9H244 2/20 0.34
SLC2A1 P11166 12/20 0.32
SLC2A3 P11169 12/20 0.32
SLC2A4 P14672 12/20 0.32
SLC2A2 P11168 5/20 0.31
HTR2C P28335 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
SCHEMBL4877765 0.94 SMN1; SMN2 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL4902450 0.85 HTR2C (0.32) L3MBTL1HTR2C
SCHEMBL4896675 0.83 TLR7 (0.31) HTR2C
SCHEMBL4895868 0.82 AOC3 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2HTR2C
SCHEMBL4901053 0.80 TSHR (0.37) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL14154039 0.79
SCHEMBL4875978 0.79 KCNH2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL4884136 0.77 SMN1; SMN2 (0.31) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4902928 0.76 TSHR (0.36) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4879792 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US claimed

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 ALDH1A1 84/4885CYP1A2 393/4885CYP2C9 303/4885

“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.