SCHEMBL6043949

SCHEMBL6043949

COCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 1.00
MAPT P10636 7/20 0.74
ALDH1A1 P00352 3/20 0.74
PTGER4 P35408 2/20 0.74
RAB9A P51151 2/20 0.74
LMNA P02545 2/20 0.63
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL28183325 0.92 HCAR3 (0.86) HCAR3MAPTALDH1A1PTGER4RAB9A
SCHEMBL2252228 0.90 MAPT (0.82) HCAR3MAPTALDH1A1PTGER4RAB9A
SCHEMBL31425079 0.90 HCAR3 (0.81) HCAR3MAPTALDH1A1PTGER4RAB9A
SCHEMBL2552519 0.88 HCAR3 (0.79) HCAR3MAPTALDH1A1PTGER4RAB9A
SCHEMBL6044291 0.87 HCAR3 (0.77) HCAR3MAPTALDH1A1PTGER4RAB9A
Methyl Alcohol SCHEMBL28201441 0.87 HCAR3 (0.76) HCAR3MAPTALDH1A1PTGER4RAB9A
SCHEMBL1964842 0.85 MAPT (1.00) HCAR3MAPTALDH1A1PTGER4RAB9A
SCHEMBL2688335 0.85 HCAR3 (1.00) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL581227 0.85 HCAR3 (0.73) HCAR3MAPTALDH1A1PTGER4RAB9A
SCHEMBL5591695 0.84 HCAR3 (0.72) HCAR3MAPTALDH1A1PTGER4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730856-B2 Benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-04 US disclosed
CN-105814038-B Benzimidazole derivatives as EP4 ligands 拜耳医药股份公司 2018-12-04 CN disclosed
CN-104854098-B Benzimidazole derivatives as EP4 antagonists 拜耳医药股份公司 2018-01-09 CN disclosed
EP-3083603-B1 BENZIMIDAZOLYL DERIVATIVES AS EP4 LIGANDS Bayer Pharma AG (DE) 2017-09-13 EP disclosed
EP-3083603-B1 BENZIMIDAZOLYL DERIVATIVES AS EP4 LIGANDS Bayer Pharma AG (DE) 2017-09-13 EP disclosed
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
EP-2928884-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG (DE) 2017-05-24 EP disclosed
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
CN-105814038-A Benzimidazole derivatives as EP4 ligands 拜耳医药股份公司 2016-07-27 CN disclosed
EP-2928884-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2015-10-14 EP disclosed
CN-104854098-A NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG 2015-08-19 CN disclosed
WO-2015091475-A1 BENZIMIDAZOLE DERIVATIVES AS EP4-LIGANDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091475-A1 BENZIMIDAZOLE DERIVATIVES AS EP4-LIGANDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2014086739-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-06-12 WO disclosed
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 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-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS PTGER4, PTGER1, PTGER2 HCAR3 893/4885MAPT 4657/4885ALDH1A1 560/4885
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, EPB41 HCAR3 1038/4885MAPT 4631/4885ALDH1A1 511/4885
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885MAPT 3284/4885ALDH1A1 607/4885
US-10730856-B2 Benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, PTGER2 HCAR3 841/4885MAPT 4684/4885ALDH1A1 382/4885

“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.