SCHEMBL195692

SCHEMBL195692

[CH2]C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.73
CES2 O00748 1/20 0.72
CES1 P23141 1/20 0.72
TP53 P04637 1/20 0.70
ALDH1A1 P00352 5/20 0.68
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
RXFP1 Q9HBX9 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
BLM P54132 1/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MITF O75030 1/20 0.54

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
SCHEMBL29848105 0.85 TSHR (1.00) TSHRCES2CES1TP53ALDH1A1
SCHEMBL894417 0.85 TSHR (1.00) TSHRCES2CES1TP53ALDH1A1
SCHEMBL31374765 0.84 CES1 (1.00) TSHRCES2CES1TP53ALDH1A1
SCHEMBL2156825 0.84 CES1 (1.00) TSHRCES2CES1TP53ALDH1A1
SCHEMBL181572 0.84 CES2 (0.78) TSHRCES2CES1TP53ALDH1A1
Hydrochloric Acid SCHEMBL7389430 0.83 TSHR (0.96) TSHRCES2CES1TP53ALDH1A1
Methane SCHEMBL28159024 0.83 TSHR (0.96) TSHRCES2CES1TP53ALDH1A1
SCHEMBL8962468 0.82 CES2 (0.75) TSHRCES2CES1TP53ALDH1A1
SCHEMBL2170995 0.82 CES2 (0.75) TSHRCES2CES1TP53ALDH1A1
SCHEMBL14880709 0.82 CES2 (0.69) TSHRCES2CES1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617445-B Photosensitive compositions, curable compositions, novel compounds, photopolymerizable compositions, color filters, and planographic printing plate precursors FUJIFILM CORP 2015-02-18 CN claimed
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer NG RAYMOND 2008-05-22 US claimed
CN-101133036-A Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 CN claimed
EP-1812406-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP claimed
US-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-25 US claimed
WO-2006039215-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US claimed
CN-118109145-A Adhesive composition, adhesive layer, polarizing plate with adhesive layer, and display device 住友化学株式会社 2024-05-31 CN disclosed
CN-111108099-B Compound, epoxy curing catalyst, and method for producing compound 东京应化工业株式会社 2023-09-29 CN disclosed
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound TOKYO OHKA KOGYO CO., LTD. (JP) 2023-08-08 US disclosed
EP-3042934-B1 COLORED COMPOSITION, CURED FILM, COLOR FILTER, COLOR-FILTER MANUFACTURING METHOD, SOLID-STATE IMAGING ELEMENT, IMAGE DISPLAY DEVICE, POLYMER, AND XANTHENE DYE FUJIFILM CORP (JP) 2022-11-09 EP disclosed
US-11142629-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2021-10-12 US disclosed
WO-2004011402-A2 NOVEL ARYLIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-02-05 WO disclosed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 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-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) AR, NR5A1, ESRRA TSHR 888/4885CES2 3460/4885CES1 1137/4885
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer AR, FSHR, BRDT TSHR 605/4885CES2 1946/4885CES1 1345/4885
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound MSMO1, RIOK1, ME1 TSHR 4428/4885CES2 1391/4885CES1 758/4885

“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.