SCHEMBL2458142

SCHEMBL2458142

O=Cc1ccc(Nc2ccc(Cl)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NFE2L2 Q16236 2/20 0.39
SCN9A Q15858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
IDO1 P14902 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL16268494 0.84 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6NFE2L2
SCHEMBL231542 0.79 MAPT (0.47) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL733566 0.78
SCHEMBL4005376 0.76 LTA4H (0.43) NFE2L2MEN1KMT2ACYP1A2HSD17B10
SCHEMBL13550143 0.75 SRC (0.39)
SCHEMBL13549949 0.73 ERN1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL13549971 0.73 PTGS2 (0.41) HDAC3HDAC1HDAC6MEN1KMT2A
SCHEMBL13550668 0.73 SRC (0.38) CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL377455 0.73 RRM2 (0.49) HDAC3HDAC1HDAC6CYP3A4HSD17B10
SCHEMBL230231 0.73 CNR1 (0.42) SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035358-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SE) 2013-02-07 US disclosed
EP-2545036-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2013-01-16 EP disclosed
WO-2011110824-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2011-09-15 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-20130035358-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R HDAC3 3941/4885HDAC1 3335/4885HDAC2 2735/4885

“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.