SCHEMBL324992

SCHEMBL324992

Cc1ccc(COC(=O)N2C=Cc3ccccc3C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XIAP P98170 1/20 0.36
HSD17B3 P37058 1/20 0.36
P2RX4 Q99571 1/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
GRIN2B Q13224 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 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
SCHEMBL324798 0.88 GRIN2B (0.40) MEN1KMT2ANPC1RAB9AHSD17B3
SCHEMBL323497 0.86 HSD17B3 (0.37) NPSR1MEN1KMT2ASMN1; SMN2HSD17B3
SCHEMBL324346 0.84 P2RX4 (0.47) NPSR1MEN1KMT2ANPC1RAB9A
SCHEMBL324589 0.83 GRIN2B (0.41) NPSR1MEN1KMT2ANPC1RAB9A
SCHEMBL322945 0.83 ALDH1A1 (0.35) NPSR1NPC1RAB9AHSD17B3P2RX4
SCHEMBL29493251 0.81 HDAC3 (0.41) NPSR1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15056964 0.81 HDAC3 (0.41) NPSR1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL324429 0.81 HDAC3 (0.36) NPSR1MEN1KMT2ANPC1RAB9A
SCHEMBL325217 0.81 HDAC3 (0.33) HSD17B3P2RX4HDAC3
SCHEMBL323401 0.81 BCL9 (0.40) NPSR1KDM5AKDM4CKDM5BGRIN2B

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
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 NPSR1 155/4885MEN1 3717/4885KMT2A 4417/4885

“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.