SCHEMBL1590824

SCHEMBL1590824

C[C@H](C(N)=O)n1ccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.56
ALDH1A1 P00352 2/20 0.49
NTRK1 P04629 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PARP14 Q460N5 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
KCNQ2 O43526 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1590829 1.00 P2RX7 (0.56) P2RX7ALDH1A1NTRK1KDM4EMEN1
SCHEMBL12703313 0.91 P2RX7 (0.57) P2RX7ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL1590702 0.90 P2RX7 (0.56) P2RX7ALDH1A1MEN1KMT2AKCNQ2
SCHEMBL1590706 0.90 P2RX7 (0.56) P2RX7ALDH1A1MEN1KMT2AKCNQ2
SCHEMBL1590258 0.89 P2RX7 (0.63) P2RX7ALDH1A1NTRK1KDM4EMEN1
SCHEMBL1590253 0.89 P2RX7 (0.63) P2RX7ALDH1A1NTRK1KDM4EMEN1
SCHEMBL1591180 0.89 P2RX7 (0.63) P2RX7ALDH1A1NTRK1KDM4EMEN1
SCHEMBL1590593 0.89 P2RX7 (0.51) P2RX7ALDH1A1MEN1KMT2ALMNA
SCHEMBL1590595 0.89 P2RX7 (0.51) P2RX7ALDH1A1MEN1KMT2ALMNA
SCHEMBL1590564 0.89 P2RX7 (0.60) P2RX7NTRK1KDM4EMAPTKCNQ2

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 1/4885ALDH1A1 3640/4885NTRK1 2309/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 3640/4885NTRK1 2309/4885

“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.