SCHEMBL2443591

SCHEMBL2443591

FC(F)(F)c1ccccc1-c1cnc(CBr)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CYP3A4 P08684 7/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2D6 P10635 4/20 0.38
ALOX15 P16050 4/20 0.38
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
HSD11B1 P28845 2/20 0.37
CYP1A2 P05177 6/20 0.36
USP2 O75604 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PSMB8 P28062 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL2411380 0.87 MPL (0.44) LIMK1ALOX5APFEN1LOXL2
SCHEMBL5536697 0.78 ALDH1A1 (0.41) LIMK1ALDH1A1HPGDALOX5APFEN1
SCHEMBL2441087 0.76 LIMK1 (0.44) LIMK1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL2409309 0.76 HSD11B1 (0.47) LIMK1ALDH1A1HPGDALOX5APFEN1
SCHEMBL2448126 0.74 HSD11B1 (0.45) ALDH1A1HPGDHSD11B1PSMB8NOTUM
SCHEMBL4508943 0.72 HDAC6 (0.42) FEN1LOXL2
SCHEMBL2226631 0.72 LOXL2 (0.58) FEN1LOXL2
SCHEMBL2443835 0.72 CTSA (0.36) LIMK1ALOX5APFEN1LOXL2
SCHEMBL16513286 0.70 LIMK1 (0.41) LIMK1ALDH1A1HPGDALOX5APFEN1
SCHEMBL16886210 0.68 LOXL2 (0.50) FEN1CYP3A4LOXL2

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 17 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
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN 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
CN-103189363-A Biaryl linked aryl triazolones and uses thereof BAYER IP GMBH 2013-07-03 CN 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 LIMK1 1829/4885ALDH1A1 1109/4885HPGD 1763/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 LIMK1 1829/4885ALDH1A1 1109/4885HPGD 1763/4885

“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.