SCHEMBL6079509

SCHEMBL6079509

CC(C)CNCc1csc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.53
▸ AR P10275 12/20 0.45
▸ NTSR1 P30989 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ GHSR Q92847 1/20 0.42

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
SCHEMBL5222328 0.85 BLM (0.52) BLMARNTSR1VCPCYP2C19
SCHEMBL3289646 0.76 RORC (0.55) ARCYP2C19
SCHEMBL6078798 0.75 MEN1 (0.44) —
SCHEMBL17658051 0.75 BLM (0.63) BLMAR
SCHEMBL5219268 0.71 BLM (0.49) BLMAR
SCHEMBL5328567 0.71 MAPT (0.46) BLM
SCHEMBL5349597 0.71 MAPT (0.47) BLM
SCHEMBL15032263 0.71 BLM (0.56) BLMARCYP2C19
SCHEMBL5217998 0.70 BLM (0.50) BLMAR
SCHEMBL5218672 0.70 KDR (0.53) BLM

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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 BLM 4876/4885AR 1441/4885NTSR1 3783/4885

“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.

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