SCHEMBL323553

SCHEMBL323553

Cn1nc(COC(=O)N2C=Cc3ccccc3C2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.38
ELANE P08246 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC16A3 O15427 1/20 0.35
HDAC3 O15379 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
RASGRP3 Q8IV61 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FEN1 P39748 1/20 0.33
LMNA P02545 2/20 0.33
CHRM1 P11229 1/20 0.33
SSTR4 P31391 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
MC4R P32245 1/20 0.31
MC1R Q01726 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL324898 0.80 PTGDR2 (0.39) HDAC3SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14893014 0.77 ALDH1A1 (0.36) KDM4EHDAC3SMN1; SMN2LMNAALDH1A1
SCHEMBL324797 0.77 GABRA1 (0.33) HDAC3
SCHEMBL325045 0.77 NAMPT (0.38) KDM4EHDAC3SMN1; SMN2LMNACHRM1
SCHEMBL325482 0.77 PTGDR2 (0.37) HDAC3LMNAKMT2AHTR2A
SCHEMBL15056964 0.76 HDAC3 (0.41) KDM4EHDAC3SMN1; SMN2LMNAMEN1
SCHEMBL29493251 0.76 HDAC3 (0.41) KDM4EHDAC3SMN1; SMN2LMNAMEN1
SCHEMBL15355392 0.76 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL17061167 0.76 PTGDR2 (0.41) HDAC3CHRM1
SCHEMBL324299 0.75 P2RX4 (0.52) SMN1; SMN2MEN1KMT2AHTR2AALDH1A1

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-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 XIAP 3496/4885ELANE 2110/4885KDM4E 3620/4885

“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.