SCHEMBL4891100

SCHEMBL4891100

CN(C)C(=O)Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GPR35 Q9HC97 4/20 0.38
TTR P02766 2/20 0.35
ALB P02768 2/20 0.35
ACHE P22303 1/20 0.33
NCEH1 Q6PIU2 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5388035 0.96 ALDH1A1 (0.40) ALDH1A1GPR35TTRALBACHE
SCHEMBL29556360 0.89 ALDH1A1 (0.35) ALDH1A1GPR35NCEH1MEN1KMT2A
SCHEMBL17963944 0.89 ALDH1A1 (0.35) ALDH1A1GPR35NCEH1MEN1KMT2A
SCHEMBL5784328 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL2580324 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL24372708 0.80 ALDH1A1 (0.49) ALDH1A1ACHE
SCHEMBL9351752 0.79 GPR35 (0.36) ALDH1A1GPR35TTRALBNCEH1
SCHEMBL12158729 0.79 GPR35 (0.36) ALDH1A1GPR35TTRALBNCEH1
SCHEMBL9352583 0.78 NCEH1 (0.45) ALDH1A1ACHENCEH1MEN1KMT2A
SCHEMBL9495594 0.77 MMP3 (0.44) ALDH1A1

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 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 ALDH1A1 84/4885GPR35 3665/4885TTR 516/4885

“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.