SCHEMBL752500

SCHEMBL752500

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

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
PKM P14618 1/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
LMNA P02545 3/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 4/20 0.60
RECQL P46063 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
PTGER4 P35408 1/20 0.58
GAA P10253 2/20 0.56
THRB P10828 1/20 0.53

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
SCHEMBL10946289 0.89 MAPT (0.62) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL6170431 0.88 KMT2A (0.60) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL11446616 0.88 MAPT (0.58) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL10946509 0.86 ESR1 (0.61) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL1827529 0.85 LMNA (0.56) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL1981486 0.85 KMT2A (0.67) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL10946588 0.85 MAPT (0.60) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL10957478 0.85 MAPT (0.60) MAPTKMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL1552568 0.84 LMNA (0.55) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL12933644 0.84 LMNA (0.55) MAPTKMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLMITED COMPANY (IE) 2024-05-16 US disclosed
EP-3972964-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2022-03-30 EP disclosed
CN-113874380-A Other heteroaromatic compounds with anti-RSV activity 爱尔兰詹森科学公司 2021-12-31 CN disclosed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
CN-105636956-B Indole compounds as inhibitors of cellular necrosis 株式会社LG化学 2019-07-09 CN disclosed
CN-105985276-B A kind of 3,4- dibenzamide yl-benzamide derivatives and its preparation method and application 南京中瑞药业有限公司 2019-02-01 CN disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0196910-B1 Benzo[a]phenazine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-01-02 EP disclosed
US-4686292-A Benzo[α]phenazine antitumor agents TAISHO PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US disclosed
EP-0196910-A2 Benzo[a]phenazine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-10-08 EP disclosed
US-4555568-A Monoazo compounds derived from 3-nitro-4-amino-benzoates and 5-(2'-hydroxy-3'-naphthoylamino)-benzimidazolones HOECHST AKTIENGESELLSCHAFT (DE) 1985-11-26 US disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed
US-4094636-A DIAZOTIZATION HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-13 US disclosed
US-4013631-A SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 US 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-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV MAVS, ZC3HAV1, RNASEH1 MAPT 3791/4885KMT2A 3174/4885ALDH1A1 1533/4885
US-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF MAPT 2077/4885KMT2A 4108/4885ALDH1A1 3181/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF MAPT 1893/4885KMT2A 3771/4885ALDH1A1 3023/4885

“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.