SCHEMBL1590833

SCHEMBL1590833

COc1ccc(CC(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SHMT2 P34897 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41
MAPT P10636 1/20 0.41
GRM2 Q14416 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
SCHEMBL1590401 0.93 SHMT2 (0.48) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL1591053 0.90 KDM4E (0.51) KDM4EMAPK1ALDH1A1HPGDHTT
SCHEMBL1591307 0.88 GRM2 (0.48) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL1590204 0.87 POLB (0.46) KDM4EMAPK1ALDH1A1HPGDHTT
SCHEMBL1590356 0.85 GAA (0.50) KDM4EMAPK1KMT2AALDH1A1HPGD
SCHEMBL13114720 0.83 P2RX7 (0.51) KDM4EKMT2AALDH1A1HPGDHTT
SCHEMBL1591392 0.83 GRM2 (0.51) KDM4EMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL1591058 0.83 POLB (0.51) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL1590878 0.83 GRM2 (0.49) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL13047249 0.82 TP53 (0.54) KDM4EMAPK1KMT2AMEN1ALDH1A1

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 9 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
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US 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 (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 KDM4E 4128/4885MAPK1 546/4885KMT2A 4614/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885MAPK1 546/4885KMT2A 4614/4885

“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.