SCHEMBL9955892

SCHEMBL9955892

Nc1c(Br)cc(Br)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
KDM1A O60341 2/20 0.39
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABCB11 O95342 1/20 0.34

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
SCHEMBL720822 0.84 KDM1A (0.38) ADRB2GAAKDM1ATSHRGLA
SCHEMBL28651891 0.83 GAA (0.42) ADRB2GAAMAPTTSHRCA1
SCHEMBL1093928 0.82 KIF11 (0.37) ADRB2GAAKDM1ATSHRGLA
SCHEMBL2438192 0.81 GAA (0.59) ADRB2GAAMAPTKDM1ATSHR
SCHEMBL17844704 0.80 KDM1A (0.36) ADRB2GAAKDM1ATSHRGLA
SCHEMBL2436616 0.80 AR (0.37) ADRB2GAAKDM1ATSHRGLA
SCHEMBL31571901 0.80 ADRB2 (0.42) ADRB2GAAKDM1ATSHRGLA
SCHEMBL20537373 0.80 KDM1A (0.36) ADRB2GAAMAPTKDM1ATSHR
SCHEMBL30506009 0.80 AR (0.37) ADRB2GAAKDM1ATSHRGLA
SCHEMBL1000064 0.80 ADRB2 (0.42) ADRB2GAAKDM1ATSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294440-B2 Catalytic system for preparation of high branched alkane from olefins SHANGHAI CHEMRUN CO., LTD. (CN) 2019-05-21 US disclosed
US-9938411-B2 Disperse azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2018-04-10 US disclosed
US-20170051222-A1 CATALYTIC SYSTEM FOR PREPARATION OF HIGH BRANCHED ALKANE FROM OLEFINS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2017-02-23 US disclosed
US-9315755-B2 Catalytic system for preparation of high branched alkane from olefins SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-04-19 US disclosed
EP-2655518-B1 DISPERSE AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2016-01-06 EP disclosed
US-20140088319-A1 CATALYTIC SYSTEM FOR PREPARATION OF HIGH BRANCHED ALKANE FROM OLEFINS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-27 US disclosed
EP-2655518-A1 DISPERSE AZO DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2013-10-30 EP disclosed
US-20130255011-A1 Disperse Azo Dyes HUNTSMAN INTERNATIONAL LLC (US) 2013-10-03 US disclosed
WO-2012084417-A1 DISPERSE AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-06-28 WO disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-4643755-A APPLYING SUBSTITUTED PHENYL NITRAMINE AMERICAN CYANAMID COMPANY (US) 1987-02-17 US disclosed
EP-0043795-B1 MONOAZO COMPOUNDS CIBA-GEIGY AG (CH) 1984-08-01 EP disclosed
US-4448719-A TEXTILES; COLORFAST CIBA-GEIGY CORPORATION (US) 1984-05-15 US disclosed
EP-0043795-A2 Monoazo compounds CIBA-GEIGY AG (CH) 1982-01-13 EP disclosed
EP-0003880-A1 Substituted phenylnitramines with plant growth regulating properties AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP 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 (3 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-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 ADRB2 1572/4885GAA 925/4885MAPT 1885/4885
US-10294440-B2 Catalytic system for preparation of high branched alkane from olefins BRAP, SQLE, BCHE ADRB2 1736/4885GAA 1800/4885MAPT 3259/4885
US-20170051222-A1 CATALYTIC SYSTEM FOR PREPARATION OF HIGH BRANCHED ALKANE FROM OLEFINS BRAP, SQLE, BCHE ADRB2 1736/4885GAA 1800/4885MAPT 3259/4885

“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.