SCHEMBL487518

SCHEMBL487518

ClCc1cnc(Cl)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2716190 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL19835322 0.81 CYP11B1 (0.50) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL14205055 0.81 CYP11B1 (0.50) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL17978217 0.81 CYP11B1 (0.50) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL487778 0.81 CYP11B1 (0.50) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL22978656 0.78 CYP11B1 (0.47) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL30833526 0.77 ALDH1A1 (0.42) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL1141323 0.77 ALDH1A1 (0.42) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1
SCHEMBL7996511 0.77 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL2746687 0.76 CYP11B1 (0.46) CYP11B1CYP11B2CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299400-B Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors 达特神经科学(开曼)有限公司 2021-02-19 CN disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
WO-2018021520-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2018-02-01 WO disclosed
EP-2004636-B1 Substituted enaminocarbonyl compounds used as insecticides BAYER IP GMBH (DE) 2015-04-22 EP disclosed
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
CN-101415682-A Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2009-04-22 CN disclosed
EP-2004606-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
EP-2004636-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2008057129-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-15 WO disclosed
WO-2008057129-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-15 WO disclosed
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
WO-2007115643-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
WO-2007115646-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 CYP11B1 905/4885CYP11B2 1373/4885CHRNB2 4643/4885
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides PIR, PNPO, PRDX4 CYP11B1 1145/4885CYP11B2 950/4885CHRNB2 1358/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 CYP11B1 905/4885CYP11B2 1373/4885CHRNB2 4643/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT CYP11B1 1172/4885CYP11B2 1057/4885CHRNB2 4170/4885

“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.