SCHEMBL1590893

SCHEMBL1590893

Cc1cc(C(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SHMT2 P34897 3/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
PARP1 P09874 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP2K1 Q02750 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
SCHEMBL1590272 0.89 TAS1R3 (0.45) MEN1KMT2ASHMT2MAPTTP53
SCHEMBL1590594 0.87 MEN1 (0.46) MEN1KMT2ASHMT2ALDH1A1KDM4E
SCHEMBL1590665 0.87 NPC1 (0.47) MEN1KMT2ASHMT2ALDH1A1HPGD
SCHEMBL13047125 0.87 MEN1 (0.42) MEN1KMT2ASHMT2ALDH1A1KDM4E
SCHEMBL1590420 0.87 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL1590846 0.85 TAS1R3 (0.41) SHMT2ALDH1A1KDM4EHPGDMAPT
SCHEMBL13047251 0.85 TP53 (0.56) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1590398 0.85 NPC1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL13046893 0.84 TP53 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1591037 0.83 MAPT (0.48) SHMT2ALDH1A1KDM4EHPGDMAPT

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 MEN1 4853/4885KMT2A 4614/4885SHMT2 1839/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 MEN1 4853/4885KMT2A 4614/4885SHMT2 1839/4885

“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.