SCHEMBL1591452

SCHEMBL1591452

Cc1cccc(C(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
MAPT P10636 4/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 1/20 0.38
SHMT2 P34897 2/20 0.38
P2RX7 Q99572 2/20 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
SCHEMBL1591139 0.93 PARP1 (0.53) PARP1MAPTLMNATP53ALDH1A1
SCHEMBL1590438 0.90 HPGD (0.43) PARP1MAPTLMNATP53HTT
SCHEMBL1590424 0.90 PARP1 (0.43) PARP1MAPTLMNATP53HTT
SCHEMBL1590529 0.85 POLB (0.44) PARP1MAPTLMNATP53SMN1; SMN2
SCHEMBL1590511 0.85 KMT2A (0.47) PARP1MAPTLMNATP53HPGD
SCHEMBL1590504 0.85 ALDH1A1 (0.53) MAPTNPC1RAB9AHSD17B10LMNA
SCHEMBL1590921 0.84 MAPT (0.51) PARP1MAPTLMNATP53HPGD
SCHEMBL1591037 0.84 MAPT (0.48) PARP1MAPTNPC1RAB9ALMNA
SCHEMBL17577838 0.82 GRM5 (0.42) MAPTNPC1RAB9AHSD17B10LMNA
SCHEMBL1591175 0.82 LMNA (0.46) MAPTLMNATP53ALDH1A1POLB

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 10 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
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
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 PARP1 1754/4885MAPT 4477/4885MAOB 1873/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885MAPT 4477/4885MAOB 1873/4885

“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.