SCHEMBL1590401

SCHEMBL1590401

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.48
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.42
GLS O94925 1/20 0.41
GRM2 Q14416 1/20 0.41
TSHR P16473 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
SCHEMBL1590833 0.93 KDM4E (0.45) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL1591053 0.90 KDM4E (0.51) HTTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL1591307 0.88 GRM2 (0.48) LMNASMN1; SMN2KDM4EMAPK1KMT2A
SCHEMBL1590356 0.87 GAA (0.50) HTTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL1590204 0.87 POLB (0.46) HTTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL1590742 0.84 GRM2 (0.50) HTTLMNASMN1; SMN2KDM4EKMT2A
SCHEMBL13114720 0.83 P2RX7 (0.51) SHMT2HTTSMN1; SMN2KDM4EKMT2A
SCHEMBL1591392 0.83 GRM2 (0.51) KDM4EMAPK1CYP2C19ALDH1A1HPGD
SCHEMBL1591132 0.83 P2RX7 (0.54) SHMT2HTTLMNASMN1; SMN2KDM4E
SCHEMBL1590878 0.83 GRM2 (0.49) HTTKDM4EMAPK1KMT2AMEN1

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 SHMT2 1839/4885HTT 4422/4885LMNA 1911/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 SHMT2 1839/4885HTT 4422/4885LMNA 1911/4885

“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.