SCHEMBL1590969

SCHEMBL1590969

Cc1ccc(C(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 3/20 0.42
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL1590453 0.93 TP53 (0.42) CNR2MAPTTP53THRBLMNA
SCHEMBL1591477 0.89 ALDH1A1 (0.46) RAB9ANPC1MAPTTP53LMNA
SCHEMBL1591090 0.88 IDO1 (0.38) CNR2MAPTTP53LMNACNR1
SCHEMBL1591606 0.87 KMT2A (0.46) CNR2RAB9ANPC1MAPTLMNA
SCHEMBL1590765 0.86 CNR2 (0.41) CNR2MAPTTP53LMNASMN1; SMN2
SCHEMBL1591747 0.86 SMN1; SMN2 (0.41) RAB9ANPC1MAPTTP53LMNA
SCHEMBL1591505 0.86 MAPT (0.41) CNR2MAPTLMNACNR1SMN1; SMN2
SCHEMBL1590669 0.84 GAA (0.45) CNR2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1590332 0.84 P2RX7 (0.40) RAB9AMAPTTP53THRBSMN1; SMN2
SCHEMBL1590870 0.84 BRD4 (0.39) LMNASMN1; SMN2MEN1KMT2ATSHR

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 CNR2 42/4885RAB9A 3422/4885NPC1 2233/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CNR2 42/4885RAB9A 3422/4885NPC1 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.