SCHEMBL1590399

SCHEMBL1590399

CC(C(N)=O)n1ccc2c(NC(=O)Cc3cccc(C(F)(F)F)c3)cccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.59
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNQ2 O43526 1/20 0.48
PARP14 Q460N5 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NTRK1 P04629 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK8 P45983 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
RIPK1 Q13546 1/20 0.43

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
SCHEMBL1590397 1.00 P2RX7 (0.59) P2RX7MAPTMEN1KMT2AKCNQ2
SCHEMBL1591205 0.91 P2RX7 (0.58) P2RX7NTRK1MAPK8
SCHEMBL1590610 0.91 P2RX7 (0.58) P2RX7NTRK1MAPK8
SCHEMBL1590606 0.91 P2RX7 (0.58) P2RX7NTRK1MAPK8
SCHEMBL3589897 0.87 P2RX7 (0.55) P2RX7MAPTALDH1A1TP53THRB
SCHEMBL1591103 0.87 P2RX7 (0.51) P2RX7MAPTTP53THRB
SCHEMBL3589900 0.87 P2RX7 (0.55) P2RX7MAPTALDH1A1TP53THRB
SCHEMBL1591098 0.87 P2RX7 (0.51) P2RX7MAPTTP53THRB
SCHEMBL1591218 0.86 P2RX7 (0.65) P2RX7
SCHEMBL1590442 0.86 P2RX7 (0.54) P2RX7MAPTNTRK1

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 1/4885MAPT 4477/4885MEN1 4853/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MAPT 4477/4885MEN1 4853/4885

“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.