SCHEMBL1591132

SCHEMBL1591132

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
SHMT2 P34897 1/20 0.53
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
GRM2 Q14416 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL13047206 0.91 TP53 (0.54) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL13046863 0.90 SHMT2 (0.51) P2RX7SHMT2HTTLMNASMN1; SMN2
SCHEMBL13047485 0.88 SHMT2 (0.62) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL15290185 0.88 ALDH1A1 (0.50) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL1590792 0.87 SHMT2 (0.49) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL1590452 0.87 LMNA (0.49) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL13046955 0.87 L3MBTL1 (0.52) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL1590676 0.86 P2RX7 (0.62) P2RX7KDM4EGRM2RAB9AALDH1A1
SCHEMBL1590296 0.86 P2RX7 (0.62) P2RX7HTTSMN1; SMN2KDM4EMAPK1
SCHEMBL13047679 0.84 SHMT2 (0.47) SHMT2HTTLMNASMN1; SMN2KDM4E

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 P2RX7 1/4885SHMT2 1839/4885HTT 4422/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885SHMT2 1839/4885HTT 4422/4885

“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.