SCHEMBL5361869

SCHEMBL5361869

O=c1c(-c2noc(Cc3ccccc3)n2)cn(Cc2ccc(C(F)(F)F)cc2F)c2cc(N3CCCNCC3)c(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 7/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PLAT P00750 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.34
TOP2A P11388 1/20 0.34
CYP2C9 P11712 1/20 0.34
TOP2B Q02880 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5361098 0.97 LMNA (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5359151 0.93 THRB (0.43) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5361332 0.90 THRB (0.43) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5354409 0.89 ALDH1A1 (0.43) LMNAKDM4EALDH1A1HPGDTHRB
SCHEMBL5461896 0.89 THRB (0.46) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5361806 0.85 LMNA (0.35) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5355775 0.84 THRB (0.45) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5360483 0.84 LMNA (0.40) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL5349097 0.83 PSEN1 (0.45) LMNATHRB
SCHEMBL5362055 0.82 S1PR1 (0.36) LMNAALDH1A1HSD17B10TSHRRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US claimed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO claimed
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 LMNA 4460/4885KDM4E 3960/4885ALDH1A1 1759/4885

“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.