SCHEMBL1579936

SCHEMBL1579936

BrCc1ccc2cccc(Br)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.65
BACE1 P56817 1/20 0.55
AR P10275 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
HSP90AA1 P07900 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE10A Q9Y233 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 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
SCHEMBL17179173 0.82 PARP1 (0.54) CCR1BACE1ARLMNASMN1; SMN2
SCHEMBL28722027 0.82 CCR1 (0.63) CCR1BACE1ARLMNASMN1; SMN2
SCHEMBL1258482 0.80 CCR1 (1.00) CCR1LMNASMN1; SMN2PARP1RAB9A
SCHEMBL201143 0.78 CCR1 (0.63) CCR1BACE1ARLMNASMN1; SMN2
SCHEMBL29518341 0.78 CCR1 (0.63) CCR1BACE1ARLMNASMN1; SMN2
SCHEMBL9684142 0.78 CCR1 (0.63) CCR1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL2707252 0.78 CCR1 (0.63) CCR1ARLMNAPARP1MAPT
SCHEMBL6196701 0.78 CCR1 (0.63) CCR1ARLMNASMN1; SMN2PARP1
SCHEMBL29496015 0.78 BACE1 (0.49) CCR1BACE1ARLMNASMN1; SMN2
SCHEMBL1579557 0.78 BACE1 (0.49) CCR1BACE1ARLMNASMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2022-02-10 US disclosed
EP-3902533-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X Forma Therapeutics, Inc. (US) 2021-11-03 EP disclosed
WO-2020139916-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. (US) 2020-07-02 WO disclosed
WO-2020139916-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. (US) 2020-07-02 WO disclosed
EP-2176277-B1 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF UNIV GEORGIA STATE RES FOUND (US) 2016-02-24 EP disclosed
US-9096856-B2 Nucleotides and aptamers containing boronic acid groups having biased binding to glycosylated proteins, and uses thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-08-04 US disclosed
US-20130184160-A1 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-07-18 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-20110144187-A1 APTAMER INHIBITION OF THROMBUS FORMATION GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION 2011-06-16 US disclosed
EP-2176277-A2 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF Georgia State University Research Foundation, Inc. (US) 2010-04-21 EP disclosed
WO-2010019847-A2 APTAMER INHIBITION OF THROMBUS FORMATION GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-02-18 WO disclosed
WO-2009012363-A2 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-01-22 WO disclosed
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2005024416-A1 WATER SOLUBLE BORONIC ACID FLUORESCENT REPORTER COMPOUNDS AND METHODS OF USE THEREOF WANG BINGHE (US) 2005-03-17 WO disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
WO-2003010137-A1 PREPARATION OF SULFONYL QUINOLINE MERCK & CO., INC. (US) 2003-02-06 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 (4 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-20130184160-A1 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF TENT4A, PABPC4, NUDT21 CCR1 2797/4885BACE1 3253/4885AR 3992/4885
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof GUSB, BLVRB, BCL6 CCR1 2402/4885BACE1 3510/4885AR 2834/4885
US-20110144187-A1 APTAMER INHIBITION OF THROMBUS FORMATION FGB, F13B, GP6 CCR1 4146/4885BACE1 3428/4885AR 3507/4885
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X MCL1, HSPA9, USP10 CCR1 4756/4885BACE1 2051/4885AR 4509/4885

“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.