SCHEMBL2409291

SCHEMBL2409291

Clc1ccccc1-c1cc(CBr)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.44
CYP2C19 P33261 7/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 4/20 0.44
TSHR P16473 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
MAPK1 P28482 3/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
CHRNA7 P36544 1/20 0.39
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP19A1 P11511 1/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL2414893 0.87 IDO1 (0.41) IDO1GRM5PDCD1CD274
SCHEMBL2407289 0.83 RECQL (0.53) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL29871243 0.78 CCR1 (0.42) CYP1A2TSHRALDH1A1PDCD1CD274
SCHEMBL1259178 0.78 CCR1 (0.42) CYP1A2TSHRALDH1A1PDCD1CD274
SCHEMBL4761 0.77 SMN1; SMN2 (0.46) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL5673245 0.77 CCR1 (0.46) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL2408360 0.76 CYP1A2 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
Bromide SCHEMBL16739305 0.76 CCR1 (0.41) TSHRALDH1A1
SCHEMBL3296462 0.75 CCR1 (0.42) CYP1A2CYP2C19CYP2D6ALDH1A1GRM5
SCHEMBL7037544 0.75 KDM4E (0.54) CYP1A2TSHRMAPK1ALOX15MAPT

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 CYP1A2 249/4885CYP2C19 660/4885CYP3A4 76/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 CYP1A2 249/4885CYP2C19 660/4885CYP3A4 76/4885

“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.