SCHEMBL2443863

SCHEMBL2443863

OCc1cnn(-c2ccccc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.54
LMNA P02545 1/20 0.45
AVPR2 P30518 1/20 0.42
AVPR1A P37288 1/20 0.42
BCHE P06276 1/20 0.41
P2RX7 Q99572 2/20 0.40
MALT1 Q9UDY8 2/20 0.40
MTOR P42345 1/20 0.40
PARP1 P09874 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
NPBWR1 P48145 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SLC5A2 P31639 1/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL28299738 0.85 NOTUM (0.44) NOTUMLMNAAVPR2AVPR1ABCHE
SCHEMBL21945577 0.83 P2RX7 (0.45) NOTUMLMNAAVPR2AVPR1ABCHE
SCHEMBL2446957 0.83 NOTUM (0.43) NOTUMLMNAAVPR2AVPR1ABCHE
SCHEMBL28622164 0.81 P2RX7 (0.47) NOTUMLMNAAVPR2AVPR1ABCHE
SCHEMBL16810138 0.81 NOTUM (0.56) NOTUMLMNAMALT1DRD4HTR2C
SCHEMBL20162982 0.80 NOTUM (0.54) NOTUMP2RX7MTORPDE10ADRD4
SCHEMBL30038209 0.80 NOTUM (0.54) NOTUMP2RX7MTORPDE10ADRD4
SCHEMBL28619276 0.80 NOTUM (0.40) NOTUMLMNAAVPR2AVPR1ABCHE
SCHEMBL6271350 0.77 BCHE (0.46) NOTUMLMNAAVPR2AVPR1ABCHE
SCHEMBL2412911 0.75 GAA (0.58) NOTUMLMNADRD4DRD3DRD2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO 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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 NOTUM 1384/4885LMNA 612/4885AVPR2 3835/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 NOTUM 1384/4885LMNA 612/4885AVPR2 3835/4885

“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.