SCHEMBL18516673

SCHEMBL18516673

O=C(O)CC(c1ccccc1)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2974374 0.77 BCHE (0.37) ADATAAR1KDM4CPKMMEN1
SCHEMBL2974379 0.77 BCHE (0.37) ADATAAR1KDM4CPKMMEN1
SCHEMBL2983258 0.77 BCHE (0.37) ADATAAR1KDM4CPKMMEN1
SCHEMBL9146622 0.76 PKM (0.39) ADATAAR1POLBPKML3MBTL1
SCHEMBL2977378 0.74 ADA (0.43) ADATAAR1PKML3MBTL1
SCHEMBL9575031 0.73 HSD17B10 (0.75) ADAHSD17B10POLBSMN1; SMN2TDP1
SCHEMBL21198912 0.73 PKM (0.37) TAAR1POLBSMN1; SMN2PKML3MBTL1
SCHEMBL6983161 0.69 CYP24A1 (0.56) HSD17B10POLBSMN1; SMN2TDP1
SCHEMBL14400982 0.69 GAA (0.47) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL2293425 0.69 ALDH1A1 (0.53) POLBSMN1; SMN2TDP1PKML3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound TOKYO OHKA KOGYO CO., LTD. (JP) 2023-08-08 US disclosed
US-20180223045-A1 POLYIMIDE PRECURSOR COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-08-09 US disclosed
US-10023540-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) 2018-07-17 US disclosed
US-20180194930-A1 COMPOSITION CONTAINING MICROPARTICLES TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-12 US disclosed
US-9981914-B2 2018-05-29 US disclosed
US-20180086717-A1 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) 2018-03-29 US disclosed
US-20170327631-A1 CURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2017-11-16 US disclosed
US-20170327631-A1 CURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2017-11-16 US disclosed
EP-3228641-A1 CURABLE COMPOSITION Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-10-11 EP disclosed
US-20170247334-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2017-08-31 US disclosed
US-20170247334-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2017-08-31 US disclosed
EP-3184511-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-06-28 EP disclosed
WO-2017026448-A1 POLYIMIDE PRECURSOR COMPOSITION 東京応化工業株式会社 2017-02-16 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 (5 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-20180194930-A1 COMPOSITION CONTAINING MICROPARTICLES CHMP4B, EXOSC10, EXOSC9 ADA 3063/4885TAAR1 2122/4885HSD17B10 4476/4885
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 ADA 3269/4885TAAR1 4083/4885HSD17B10 794/4885
US-20170247334-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD FASN, SLC27A1, SLC27A2 ADA 1871/4885TAAR1 2725/4885HSD17B10 555/4885
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element SLC9A2, SLC9A1, NHERF1 ADA 3269/4885TAAR1 4083/4885HSD17B10 794/4885
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound MSMO1, RIOK1, ME1 ADA 4460/4885TAAR1 2601/4885HSD17B10 2419/4885

“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.