SCHEMBL2443835

SCHEMBL2443835

Fc1c(Cl)cccc1-c1cnc(CBr)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.36
LIMK1 P53667 7/20 0.35
KMO O15229 2/20 0.35
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
FEN1 P39748 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ERCC5 P28715 1/20 0.33
PTPN11 Q06124 2/20 0.32
GRIN2B Q13224 2/20 0.32
ALOX5AP P20292 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL2441087 0.84 LIMK1 (0.44) LIMK1AVPR2AVPR1A
SCHEMBL2411380 0.80 MPL (0.44) LIMK1FEN1LOXL2GRIN2BALOX5AP
SCHEMBL2444868 0.77 CTSA (0.41) CTSALIMK1KMOGRIN2B
SCHEMBL19033248 0.75 ALDH1A1 (0.41) KMOPTPN11HTR2C
SCHEMBL27770667 0.73 LIMK1 (0.43) LIMK1AVPR2AVPR1A
SCHEMBL2443591 0.72 LIMK1 (0.44) LIMK1FEN1LOXL2ALOX5AP
SCHEMBL2226631 0.71 LOXL2 (0.58) FEN1LOXL2ERCC5
SCHEMBL16886210 0.70 LOXL2 (0.50) FEN1LOXL2ERCC5
SCHEMBL4508943 0.65 HDAC6 (0.42) FEN1LOXL2ERCC5
SCHEMBL16886211 0.64 LOXL2 (0.50) FEN1LOXL2ERCC5

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 13 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
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 CTSA 101/4885LIMK1 1829/4885KMO 387/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 CTSA 101/4885LIMK1 1829/4885KMO 387/4885

“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.