SCHEMBL5323957

SCHEMBL5323957

COc1ccc2c(c1)c(=O)c(C#N)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
XDH P47989 2/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 2/20 0.48
KCNA3 P22001 1/20 0.47
PLA2G2A P14555 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5418162 0.85 SMN1; SMN2 (0.58) LMNAXDHALDH1A1SMN1; SMN2TP53
SCHEMBL5322818 0.82 XDH (0.52) XDHALDH1A1SMN1; SMN2MAPTPLA2G2A
SCHEMBL5462266 0.82 TP53 (0.58) LMNAXDHALDH1A1SMN1; SMN2TP53
SCHEMBL1780399 0.80 ALDH1A1 (0.64) LMNAXDHALDH1A1SMN1; SMN2MAPT
SCHEMBL5462258 0.79 ALDH1A1 (0.63) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL5326339 0.79 XDH (0.46) XDHALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5461187 0.78 DRD2 (0.45) LMNAXDHALDH1A1MAPTKDM4E
SCHEMBL12628344 0.76 KCNA3 (0.48) LMNAXDHALDH1A1SMN1; SMN2TP53
SCHEMBL12628346 0.76 BCHE (0.56) LMNAALDH1A1SMN1; SMN2ACHEKCNA3
SCHEMBL5323650 0.76 ABCC2 (0.49) XDHALDH1A1PLA2G2AKDM4EHSD17B10

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 LMNA 4460/4885XDH 693/4885ALDH1A1 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.