SCHEMBL4153928

SCHEMBL4153928

O=C(CC1C2CC3CC(C2)CC1C3)Nc1cccc2c(=O)[nH]ccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.51
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
PARP15 Q460N3 1/20 0.40
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 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
SCHEMBL5510977 0.86 TRPV1 (0.46)
SCHEMBL4153919 0.79 P2RX7 (0.59) PARP1
SCHEMBL4153568 0.79 ANO1 (0.39) ALDH1A1MEN1CASP1KMT2A
SCHEMBL13587834 0.79 ROCK2 (0.62) PARP1TNKSTNKS2ROCK2ALDH1A1
SCHEMBL4141045 0.77 P2RX7 (0.48) ALDH1A1KDM4ELMNA
SCHEMBL14583955 0.75 P2RX7 (0.61) ALDH1A1KDM4ELMNARAB9AMEN1
SCHEMBL4387973 0.75 P2RX7 (0.41) ALDH1A1KDM4EHPGDMEN1CASP1
SCHEMBL3015963 0.72 P2RX7 (0.55) ALDH1A1MEN1CASP1KMT2A
SCHEMBL2995309 0.72 P2RX7 (0.54) ALDH1A1KDM4EHPGD
SCHEMBL1199010 0.71 P2RX7 (0.66) ALDH1A1LMNA

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-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885TNKS 1180/4885TNKS2 1861/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885TNKS 1180/4885TNKS2 1861/4885

“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.