SCHEMBL1591395

SCHEMBL1591395

COc1cccc(CCC(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM2 Q14416 2/20 0.44
POLB P06746 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.41
P2RX7 Q99572 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL1590881 0.92 P2RX7 (0.44) ALDH1A1KDM4EHSD17B10GRM2RAB9A
SCHEMBL1590386 0.89 P2RX7 (0.42) KDM4ENPSR1KMT2AP2RX7CASP3
SCHEMBL1590208 0.87 POLB (0.46) ALDH1A1KDM4EMAPK1CASP1HSD17B10
SCHEMBL1590692 0.87 P2RX7 (0.42) P2RX7KCNQ2
SCHEMBL1591310 0.84 EPHX2 (0.48) ALDH1A1KDM4EHSD17B10POLBRAB9A
SCHEMBL1590746 0.84 HTT (0.46) ALDH1A1KDM4EHSD17B10GRM2POLB
SCHEMBL1590762 0.84 TRPV1 (0.46) KDM4ENPSR1RAB9AKMT2AP2RX7
SCHEMBL1590403 0.83 SHMT2 (0.45) KDM4EHSD17B10KMT2AP2RX7
SCHEMBL1590835 0.83 MEN1 (0.53) ALDH1A1KDM4EHSD17B10POLBRAB9A
SCHEMBL1591459 0.83 HCAR2 (0.49) ALDH1A1KDM4EPOLBRAB9AHCAR2

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-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885KDM4E 4128/4885MAPK1 546/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885KDM4E 4128/4885MAPK1 546/4885

“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.