SCHEMBL2441087

SCHEMBL2441087

Clc1ccccc1-c1cnc(CBr)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 13/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 3/20 0.37
LIMK2 P53671 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2443835 0.84 CTSA (0.36) LIMK1AVPR2AVPR1A
SCHEMBL2443591 0.76 LIMK1 (0.44) LIMK1ALDH1A1TDP1HPGDHSD17B10
SCHEMBL2226631 0.75 LOXL2 (0.58)
SCHEMBL38544 0.74 LIMK1 (0.72) LIMK1HDAC1HDAC6ALDH1A1MAPK14
SCHEMBL30513213 0.74 LIMK1 (0.72) LIMK1HDAC1HDAC6ALDH1A1MAPK14
SCHEMBL2440919 0.74 LIMK1 (0.48) LIMK1HDAC1HDAC6MAPK14
SCHEMBL28781561 0.72 LIMK1 (0.43) LIMK1HDAC1HDAC6MAPK14LIMK2
SCHEMBL2441042 0.71 ALDH1A1 (0.57) HDAC1ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL11965510 0.71 LIMK1 (0.46) LIMK1HDAC1HDAC6MAPK14LIMK2
SCHEMBL2409943 0.70 CNR1 (0.39) ALDH1A1TDP1L3MBTL1MAPK14KDM4E

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 26 patents — showing the first 20. 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-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 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
US-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-02-11 US disclosed
US-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-02-11 US disclosed
US-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-02-11 US disclosed
EP-2125758-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008103501-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 WO disclosed
WO-2008103501-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 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-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GRK5 LIMK1 3151/4885HDAC1 835/4885HDAC6 563/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 LIMK1 1829/4885HDAC1 313/4885HDAC6 383/4885

“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.