SCHEMBL4062820

SCHEMBL4062820

Cc1cccc2[nH]c(CCl)nc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 15/20 0.51
▸ GAA P10253 15/20 0.51
▸ SI P14410 15/20 0.51
▸ MGAM2 Q2M2H8 15/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ CBFB Q13951 1/20 0.46

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
SCHEMBL4359045 0.85 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30518181 0.84 DDAH1 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4919548 0.84 DDAH1 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7409334 0.82 MGAM (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4346855 0.82 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL23497514 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
Bromide SCHEMBL844133 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1917210 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL7416048 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2307747 0.80 PSMB8 (0.53) MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221309-B1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL SCIENT IND RES (IN) 2019-11-13 — — EP claimed
US-9862712-B2 Benzimidazole based EGFR inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-01-09 — — US claimed
EP-3221309-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS Council of Scientific and Industrial Research (IN) 2017-09-27 — — EP claimed
US-20170267671-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-21 — — US claimed
WO-2016079763-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 — — WO claimed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 — — US disclosed
EP-3221309-B1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL SCIENT IND RES (IN) 2019-11-13 — — EP disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 — — US disclosed
CN-107759604-A A kind of method that benzimidazole and quinoxaline derivant are catalyzed and synthesized under microwave radiation 福建医科大学 2018-03-06 — — CN disclosed
US-9862712-B2 Benzimidazole based EGFR inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-01-09 — — US disclosed
EP-3221309-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS Council of Scientific and Industrial Research (IN) 2017-09-27 — — EP disclosed
US-20170267671-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-21 — — US disclosed
EP-0502106-A1 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-09 — — EP disclosed
EP-0497888-A1 SUBSTITUTED BENZOYLBENZENE-, BIPHENYL- AND 2-OXAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA 2? AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1992-08-12 — — EP disclosed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 — — WO disclosed
WO-1991006538-A1 SUBSTITUTED BENZOYLBENZENE-, BIPHENYL- AND 2-OXAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 — — WO disclosed
WO-1991006537-A2 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 — — WO disclosed
EP-0209106-B1 2-(4-PYRIDYLAMINOMETHYL)-BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS Maruishi Seiyaku Kabushiki Kaisha (JP) 1989-10-18 — — EP disclosed
US-4714764-A ENTEROVIRUS AND RHINOVIRUS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1987-12-22 — — US disclosed
EP-0209106-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives and pharmaceutical compositions Maruishi Seiyaku Kabushiki Kaisha (JP) 1987-01-21 — — EP 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-20170267671-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS EGFR, ERBB4, ERBB2 MGAM 4699/4885GAA 3066/4885SI 2054/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 MGAM 4787/4885GAA 4869/4885SI 4462/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 MGAM 4787/4885GAA 4869/4885SI 4462/4885

“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.

Send feedback