SCHEMBL1590522

SCHEMBL1590522

CCOc1ccc(C(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RORA P35398 1/20 0.48
NR5A1 Q13285 1/20 0.48
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.45
PLK1 P53350 1/20 0.43
HDAC1 Q13547 2/20 0.43
GPR35 Q9HC97 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL1590896 0.90 KMT2A (0.51) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13114965 0.88 NR5A1 (0.45) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1590790 0.87 RORA (0.49) RAB9ANPC1SMN1; SMN2RORANR5A1
SCHEMBL1590989 0.86 KLKB1 (0.46) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13047511 0.85 TP53 (0.53) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13047449 0.85 RAB9A (0.49) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1590784 0.85 NPC1 (0.45) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1590924 0.85 RAB9A (0.50) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13046848 0.83 RAB9A (0.47) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13047144 0.83 RAB9A (0.54) RAB9AKMT2ANPC1MEN1SMN1; SMN2

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 RAB9A 3422/4885KMT2A 4614/4885NPC1 2233/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 RAB9A 3422/4885KMT2A 4614/4885NPC1 2233/4885

“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.