SCHEMBL1590465

SCHEMBL1590465

CC(C(N)=O)n1ccc2c(NC(=O)Cc3cc(F)c(F)c(F)c3)cccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.52
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
POLB P06746 1/20 0.36
SHMT2 P34897 1/20 0.36

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
SCHEMBL1590461 1.00 P2RX7 (0.52) P2RX7KDM4EALDH1A1HPGDAURKA
SCHEMBL1590651 0.91 P2RX7 (0.56) P2RX7
SCHEMBL1590648 0.91 P2RX7 (0.56) P2RX7
SCHEMBL1590225 0.90 P2RX7 (0.54) P2RX7ALDH1A1POLB
SCHEMBL1590222 0.90 P2RX7 (0.54) P2RX7ALDH1A1POLB
SCHEMBL1592043 0.89 P2RX7 (0.62) P2RX7KDM4E
SCHEMBL1590639 0.89 P2RX7 (0.62) P2RX7KDM4E
SCHEMBL1590644 0.89 P2RX7 (0.62) P2RX7KDM4E
SCHEMBL17577851 0.88 P2RX7 (0.54) P2RX7KDM4EALDH1A1HPGD
SCHEMBL17577825 0.88 P2RX7 (0.54) P2RX7KDM4EALDH1A1HPGDPOLB

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 3 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

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 1/4885KDM4E 4128/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885ALDH1A1 3640/4885

“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.