SCHEMBL287639

SCHEMBL287639

COc1c(C)ccc(Br)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
NQO2 P16083 3/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TUBB1 Q9H4B7 5/20 0.32
AGXT P21549 1/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ACHE P22303 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9292546 0.85 NQO2 (0.42) CA2CA4NQO2ALDH1A1KDM4E
SCHEMBL4922559 0.83 CA2 (0.44) CA2CA4NQO2ALDH1A1KDM4E
SCHEMBL7484583 0.81 CA2 (0.48) CA2CA4NQO2ALDH1A1KDM4E
SCHEMBL14725631 0.81 NQO2 (0.40) CA2CA4NQO2ALDH1A1KDM4E
SCHEMBL146614 0.79 ALDH1A1 (0.39) CA2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL30968870 0.79 ALDH1A1 (0.39) CA2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2431072 0.79 TUBB1 (0.42) CA2CA4NQO2ALDH1A1KDM4E
SCHEMBL25033158 0.77 ALOX5AP (0.39) CA2CA4NQO2ALDH1A1KDM4E
SCHEMBL17930332 0.77 CA2 (0.35) CA2CA4NQO2ALDH1A1KDM4E
SCHEMBL21584115 0.77 ALOX5AP (0.39) CA2CA4NQO2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530660-B A kind of quaternized polyfluorene ether ketone compound of local dense and preparation method thereof 福州大学 2019-10-15 CN claimed
CN-109232936-A A kind of anion-exchange membrane used for all-vanadium redox flow battery and preparation method thereof 福州大学 2019-01-18 CN claimed
CN-108530660-A A kind of quaternized polyfluorene ether ketone compound of local dense and preparation method thereof 福州大学 2018-09-14 CN claimed
CN-108530660-B A kind of quaternized polyfluorene ether ketone compound of local dense and preparation method thereof 福州大学 2019-10-15 CN disclosed
CN-109232936-A A kind of anion-exchange membrane used for all-vanadium redox flow battery and preparation method thereof 福州大学 2019-01-18 CN disclosed
CN-108530660-A A kind of quaternized polyfluorene ether ketone compound of local dense and preparation method thereof 福州大学 2018-09-14 CN disclosed
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
CN-106243037-A The substituted phenylurea of part and phenyl amide as Rhizoma et radix valerianae compounds receptor 格吕伦塔尔有限公司 2016-12-21 CN disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 US disclosed
US-8592471-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2013-11-26 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
EP-2427435-A1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US disclosed
WO-2010127856-A1 SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 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 (5 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-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 CA2 2053/4885CA4 3659/4885NQO2 1595/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 CA2 2164/4885CA4 3888/4885NQO2 2644/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 CA2 2164/4885CA4 3888/4885NQO2 2644/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 CA2 2053/4885CA4 3659/4885NQO2 1595/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 CA2 2053/4885CA4 3659/4885NQO2 1595/4885

“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.