SCHEMBL1590713

SCHEMBL1590713

CC(=O)NCCn1ccc2c(NC(=O)Cc3ccc(F)c(Cl)c3)cccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.59
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
CLK1 P49759 1/20 0.42
FSCN1 Q16658 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SCD O00767 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
GRM2 Q14416 2/20 0.40
KCNQ2 O43526 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL1590086 0.93 P2RX7 (0.62) P2RX7TP53KDM4EMAPTCLK1
SCHEMBL1590443 0.92 P2RX7 (0.55) P2RX7TP53KDM4EALDH1A1HPGD
SCHEMBL1590851 0.88 P2RX7 (0.75) P2RX7TP53KDM4EMAPTCLK1
SCHEMBL1590701 0.87 P2RX7 (0.79) P2RX7KDM4EMAPTCLK1SCD
SCHEMBL1590510 0.86 P2RX7 (0.62) P2RX7TP53KDM4EALDH1A1HPGD
SCHEMBL1590895 0.82 P2RX7 (0.64) P2RX7KDM4EMAPTCLK1ALDH1A1
SCHEMBL1591197 0.81 P2RX7 (0.78) P2RX7TP53KDM4EMAPTCLK1
SCHEMBL13587571 0.80 P2RX7 (0.63) P2RX7KDM4EMAPTCLK1FSCN1
SCHEMBL1590053 0.79 P2RX7 (0.79) P2RX7KDM4EMAPTCLK1ALDH1A1
SCHEMBL13136037 0.79 P2RX7 (0.62) P2RX7TP53KDM4EMAPTCLK1

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 1/4885TP53 4589/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TP53 4589/4885KDM4E 4128/4885

“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.