SCHEMBL1590425

SCHEMBL1590425

Cc1ccc(C(=O)Nc2cccc3c(=O)n(C(C)CO)ccc23)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.54
KMT2A Q03164 1/20 0.47
PARP1 P09874 2/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1590428 0.92 P2RX7 (0.54) P2RX7KMT2APARP1MAPTALDH1A1
SCHEMBL1590524 0.88 P2RX7 (0.59) P2RX7KMT2AMAPTALDH1A1HPGD
SCHEMBL1590151 0.85 P2RX7 (0.56) P2RX7PARP1MAPTALDH1A1HPGD
SCHEMBL1590243 0.84 P2RX7 (0.54) P2RX7PARP1MAPTALDH1A1HPGD
SCHEMBL1590337 0.83 P2RX7 (0.57) P2RX7KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL1590950 0.82 P2RX7 (0.56) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1591538 0.82 P2RX7 (0.56) P2RX7KMT2AMAPTPOLBLMNA
SCHEMBL1590511 0.82 KMT2A (0.47) KMT2APARP1MAPTALDH1A1HPGD
SCHEMBL1590783 0.82 P2RX7 (0.56) P2RX7PARP1MAPTALDH1A1HPGD
SCHEMBL1590244 0.81 P2RX7 (0.58) P2RX7KMT2AALDH1A1HPGDLMNA

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 1/4885KMT2A 4614/4885PARP1 1754/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KMT2A 4614/4885PARP1 1754/4885

“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.