SCHEMBL1590696

SCHEMBL1590696

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
GRM2 Q14416 1/20 0.43
NR5A1 Q13285 1/20 0.43

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
SCHEMBL1590452 0.93 LMNA (0.49) LMNAKDM4EMAPK1ALDH1A1HPGD
SCHEMBL1591059 0.89 KDM4E (0.55) LMNAKDM4EMAPK1ALDH1A1HPGD
SCHEMBL1591200 0.88 TP53 (0.54) LMNAKDM4EMAPK1ALDH1A1HPGD
SCHEMBL1590800 0.87 POLB (0.60) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL13047249 0.86 TP53 (0.54) LMNAKDM4EMAPK1ALDH1A1HPGD
SCHEMBL13047124 0.86 ALDH1A1 (0.50) LMNAKDM4EMAPK1ALDH1A1HPGD
SCHEMBL1591621 0.86 POLB (0.50) LMNAKDM4EMAPK1ALDH1A1HPGD
SCHEMBL13046599 0.84 KDM4E (0.48) LMNAKDM4EMAPK1ALDH1A1HPGD
SCHEMBL1590994 0.84 P2RX7 (0.57) LMNAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL1590267 0.83 P2RX7 (0.47) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2

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 LMNA 1911/4885KDM4E 4128/4885MAPK1 546/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885KDM4E 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.