SCHEMBL708583

SCHEMBL708583

CCn1c(C(=O)O)cc2cc(Br)ccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.65
GPR35 Q9HC97 3/20 0.60
CCR9 P51686 1/20 0.49
CCR2 P41597 11/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
ABCB11 O95342 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL38664558 1.00 MCL1 (0.65) MCL1GPR35CCR9CCR2ALDH1A1
SCHEMBL20909819 0.88 CCR9 (0.62) MCL1GPR35CCR9CCR2ALDH1A1
SCHEMBL9613337 0.83 GPR35 (0.62) GPR35CCR9CCR2ALDH1A1POLB
SCHEMBL1553069 0.83 GPR35 (0.67) GPR35CCR2ALDH1A1POLBCYP1A2
SCHEMBL7488350 0.82 LMNA (0.52) MCL1ALDH1A1POLBKDM4E
SCHEMBL700700 0.81 CCR2 (0.65) GPR35CCR9CCR2ABCB11
SCHEMBL7378692 0.81 ALDH1A1 (0.65) MCL1GPR35CCR2ALDH1A1POLB
SCHEMBL3107354 0.81 MCL1 (0.56) MCL1GPR35CCR9CCR2ABCB11
SCHEMBL27663338 0.81 CCR2 (0.71) MCL1GPR35CCR9CCR2ABCB11
SCHEMBL16814415 0.80 MCL1 (0.46) MCL1GPR35CCR9ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS HOFFMANN-LA ROCHE INC. (US) 2015-10-01 US disclosed
EP-2909190-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
WO-2014060386-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
EP-2722329-A1 Indol-amide compounds as beta-amyloid inhbitors F. Hoffmann-La Roche AG (CH) 2014-04-23 EP disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
CN-1079396-C Aromatic amidine derivatives useful as selective thrombin inhibitors C & C RES LAB (KR) 2002-02-20 CN disclosed
CN-1219932-A Aromatic amidine derivatives useful as selective thrombin inhibitors C & C RESEARCH LAB (KR) 1999-06-16 CN disclosed
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 US 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MCL1 3229/4885GPR35 1008/4885CCR9 4717/4885
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, PTGER2 MCL1 4649/4885GPR35 144/4885CCR9 1068/4885
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS APP, BACE1, IAPP MCL1 4388/4885GPR35 1272/4885CCR9 3805/4885

“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.