SCHEMBL2978481

SCHEMBL2978481

C=CCOC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
MITF O75030 1/20 0.51
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HCAR3 P49019 1/20 0.43
SNCA P37840 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL14157925 0.89 SNCA (0.45) THRBMITFITGB1ITGA5ALDH1A1
SCHEMBL2705489 0.85 CYP3A4 (0.50) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL753770 0.85 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL5102190 0.84 TSHR (0.56) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL5109046 0.84 VCAM1 (0.57) MITFALDH1A1KMT2AMEN1MAPT
SCHEMBL8788464 0.83 PRSS1 (0.47) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL5108863 0.83 HCAR3 (0.48) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL6886031 0.83 KMT2A (0.43) THRBALDH1A1KMT2AMEN1MAPT
SCHEMBL8787481 0.82 CYP3A4 (0.50) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL1305326 0.82 KMT2A (0.64) THRBMITFITGB1ITGA5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
US-7786128-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7786128-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
CN-101048382-B Novel indole or benzimidazole derivatives HOFFMANN LA ROCHE 2010-05-05 CN disclosed
CN-101646665-A 1-(1-benzyl piepridine-4-yl) benzoglyoxaline-5-carboxylic acid derivative that is used for the treatment of diabetes HOFFMANN LA ROCHE CH 2010-02-10 CN disclosed
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 US disclosed
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS BLEICHER KONRAD 2008-09-25 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
CN-1036006-C Antibiotic compounds ZENECA LTD (GB) 1997-10-01 CN disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 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 (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-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES SSTR5, SSTR3, SSTR1 THRB 271/4885MITF 1867/4885ITGB1 4598/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 THRB 2557/4885MITF 4822/4885ITGB1 1387/4885
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS CNR1, CNR2, GPR119 THRB 469/4885MITF 1785/4885ITGB1 4307/4885

“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.