SCHEMBL1591572

SCHEMBL1591572

O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc2c(=O)n(C(CO)CO)ccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.56
NTRK1 P04629 1/20 0.47
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNQ2 O43526 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 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
SCHEMBL1591027 0.88 P2RX7 (0.61) P2RX7NTRK1MEN1KMT2ATRPV1
SCHEMBL1591125 0.85 P2RX7 (0.51) P2RX7GALR3NR2F2MEN1KMT2A
SCHEMBL1591121 0.85 P2RX7 (0.51) P2RX7GALR3NR2F2MEN1KMT2A
SCHEMBL1590358 0.84 P2RX7 (0.66) P2RX7NTRK1MAPTALDH1A1LMNA
SCHEMBL1591370 0.82 P2RX7 (0.65) P2RX7GALR3NR2F2MEN1KMT2A
SCHEMBL1591021 0.81 P2RX7 (0.64) P2RX7MEN1KMT2AMAPTALDH1A1
SCHEMBL1590886 0.81 P2RX7 (0.64) P2RX7MEN1KMT2AMAPTALDH1A1
SCHEMBL1589979 0.79 P2RX7 (0.84) P2RX7MAPTALDH1A1TRPV1
SCHEMBL1591202 0.79 P2RX7 (0.57) P2RX7NTRK1
SCHEMBL13047354 0.77 P2RX7 (0.51) P2RX7GALR3NR2F2MEN1KMT2A

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 1/4885NTRK1 2309/4885GALR3 754/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885NTRK1 2309/4885GALR3 754/4885

“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.