SCHEMBL1590464

SCHEMBL1590464

Cc1cccc(CC(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.48
P2RX7 Q99572 9/20 0.46
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.40
BCHE P06276 1/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1590339 0.94 P2RX7 (0.45) KCNQ2P2RX7ALDH1A1POLBTP53
SCHEMBL1590381 0.91 TP53 (0.40) KCNQ2P2RX7ALDH1A1POLBTP53
SCHEMBL1589954 0.91 P2RX7 (0.45) P2RX7ALDH1A1POLBTP53
SCHEMBL1590867 0.88 PARP14 (0.45) P2RX7ALDH1A1POLBTP53
SCHEMBL1591011 0.87 P2RX7 (0.40) P2RX7ALDH1A1POLBTP53
SCHEMBL1590356 0.86 GAA (0.50) P2RX7ALDH1A1NPC1POLBL3MBTL1
SCHEMBL1590204 0.85 POLB (0.46) KCNQ2P2RX7ALDH1A1POLB
SCHEMBL1590597 0.85 POLB (0.42) P2RX7ALDH1A1POLBL3MBTL1
SCHEMBL1591606 0.85 KMT2A (0.46) ALDH1A1NPC1POLB
SCHEMBL1591307 0.84 GRM2 (0.48) KCNQ2P2RX7ALDH1A1NPC1POLB

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 KCNQ2 519/4885P2RX7 1/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KCNQ2 519/4885P2RX7 1/4885ALDH1A1 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.