SCHEMBL2687698

SCHEMBL2687698

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
MAPK1 P28482 6/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
RAB9A P51151 1/20 0.56
MAPT P10636 3/20 0.53
HCAR3 P49019 3/20 0.51
WNK1 Q9H4A3 2/20 0.50
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
STAT3 P40763 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EPAS1 Q99814 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7185722 0.88 PKM (0.65) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL7191405 0.86 PKM (0.62) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL5752516 0.86 PKM (0.65) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL7191399 0.86 PKM (0.62) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL7178280 0.86 PKM (0.62) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL7178283 0.86 PKM (0.62) PKMMAPK1NPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL28534319 0.85 PKM (0.64) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL7191754 0.85 PKM (0.61) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL7191751 0.85 PKM (0.61) PKMMAPK1NPSR1MEN1KMT2A
SCHEMBL20338310 0.81 MAPT (0.56) PKMMAPK1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 EP disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
WO-2010137349-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS 住友化学株式会社 (JP) 2010-12-02 WO disclosed
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 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 (1 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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 PKM 4571/4885MAPK1 1717/4885NPSR1 116/4885

“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.