SCHEMBL1590579

SCHEMBL1590579

COc1cc(OC)cc(C(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
FFAR4 Q5NUL3 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.45
GRM2 Q14416 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42

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
SCHEMBL1590846 0.88 TAS1R3 (0.41) SMN1; SMN2KDM4ELMNATSHRHSD17B10
SCHEMBL1591621 0.86 POLB (0.50) KDM4ELMNAALDH1A1TP53GRM2
SCHEMBL1590896 0.85 KMT2A (0.51) SMN1; SMN2LMNATSHRALDH1A1TP53
SCHEMBL13047048 0.84 ALDH1A1 (0.48) SMN1; SMN2FFAR4GPR139KDM4ELMNA
SCHEMBL1591175 0.84 LMNA (0.46) KDM4ELMNAALDH1A1TP53GRM2
SCHEMBL1590594 0.84 MEN1 (0.46) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL1590398 0.84 NPC1 (0.48) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL1591150 0.84 KMT2A (0.50) SMN1; SMN2KDM4ELMNAALDH1A1TP53
SCHEMBL1590420 0.83 KMT2A (0.51) LMNATSHRHSD17B10ALDH1A1TP53
SCHEMBL1590522 0.83 RAB9A (0.48) SMN1; SMN2LMNATSHRTP53KMT2A

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 SMN1; SMN2 4369/4885FFAR4 292/4885GPR139 173/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 SMN1; SMN2 4369/4885FFAR4 292/4885GPR139 173/4885

“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.