SCHEMBL5367539

SCHEMBL5367539

CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(Cl)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
DRD3 P35462 1/20 0.40
TP53 P04637 1/20 0.39
TOP1 P11387 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5350779 0.95 LMNA (0.42) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5367673 0.92 THRB (0.45) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5360452 0.89 ALDH1A1 (0.44) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5361936 0.88 ALDH1A1 (0.45) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5466490 0.87 ALDH1A1 (0.43) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5457112 0.87 THRB (0.41) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5354358 0.87 LMNA (0.45) ALDH1A1LMNAKDM4EHPGDDRD3
SCHEMBL5464589 0.87 ALDH1A1 (0.45) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5365938 0.86 ALDH1A1 (0.41) THRBALDH1A1LMNAKDM4EHPGD
SCHEMBL5346954 0.86 ALDH1A1 (0.50) THRBALDH1A1LMNAKDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 THRB 4510/4885ALDH1A1 1759/4885LMNA 4460/4885

“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.