SCHEMBL507167

SCHEMBL507167

Clc1ccc(CBr)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
IDO1 P14902 3/20 0.38
ABL1 P00519 1/20 0.37
PNMT P11086 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AHR P35869 2/20 0.34
NOTUM Q6P988 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSNK2A1 P68400 1/20 0.32
CYP3A4 P08684 1/20 0.32
CCR2 P41597 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
SCHEMBL30488129 1.00 CYP4F2 (0.43) CYP4F2CYP4A11IDO1ABL1PNMT
SCHEMBL20570318 0.82 PNMT (0.42) IDO1ABL1PNMTTAAR1ALDH1A1
SCHEMBL3745838 0.81 IDO1 (0.38) IDO1ABL1PNMTTAAR1TSHR
SCHEMBL507688 0.81 CYP4F2 (0.40) CYP4F2CYP4A11IDO1PNMTTAAR1
SCHEMBL10128 0.80 IDO1 (0.58) CYP4F2CYP4A11IDO1PNMTTAAR1
SCHEMBL29413271 0.80 IDO1 (0.58) CYP4F2CYP4A11IDO1PNMTTAAR1
SCHEMBL1363230 0.79 CSNK2A1 (0.46) IDO1PNMTTAAR1CSNK2A1
SCHEMBL11947198 0.79 IDO1 (0.37) IDO1ABL1PNMTTAAR1TSHR
SCHEMBL263603 0.79 NOTUM (0.44) IDO1ABL1PNMTTAAR1TSHR
SCHEMBL18644044 0.79 IDO1 (0.37) IDO1ABL1PNMTTAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20200146289-A1 Herbicidal pyrimidine compounds BASF SE (DE) 2020-05-14 US disclosed
EP-3638033-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-04-22 EP disclosed
WO-2018229041-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2018-12-20 WO disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
CN-104470895-B The purposes of N [3 (2 carboxy ethyl) phenyl] piperidinyl-1 yl acetamide derivatives and its activator as soluble guanylate cyclase 拜耳制药股份公司 2017-04-05 CN disclosed
WO-2008077483-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2008-07-03 WO disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR CYP4F2 2236/4885CYP4A11 3946/4885IDO1 3043/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 CYP4F2 47/4885CYP4A11 91/4885IDO1 1831/4885
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF AADAT, SLC1A2, SLC1A1 CYP4F2 1265/4885CYP4A11 1534/4885IDO1 478/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 CYP4F2 4146/4885CYP4A11 3169/4885IDO1 3885/4885
US-20200146289-A1 Herbicidal pyrimidine compounds DPYD, DHFR, TYMP CYP4F2 508/4885CYP4A11 1288/4885IDO1 338/4885

“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.