SCHEMBL4833266

SCHEMBL4833266

O=C(CBr)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.58
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.52
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
CES1 P23141 1/20 0.47
RECQL P46063 1/20 0.47
IDO1 P14902 1/20 0.46
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL6932662 0.88 CYP2C19 (0.61) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL6808768 0.83 TSHR (0.58) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL17986241 0.82 TSHR (0.58) GSK3BCYP2C19CYP1A2TSHRMAPT
SCHEMBL3014336 0.81 CYP2C19 (0.54) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL12179295 0.81 CYP2C19 (0.54) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL22408746 0.81 CYP2C19 (0.54) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL11373145 0.81 CYP2C19 (0.54) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL28532343 0.81 ALDH1A1 (0.60) CYP2C19CYP1A2MAPTALDH1A1MEN1
SCHEMBL7733270 0.81 CYP2C19 (0.57) GSK3BCYP2C19CYP1A2TSHRMAPT
SCHEMBL6647402 0.80 TSHR (0.59) CYP2C19CYP1A2TSHRMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
WO-2008059128-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2008-05-22 WO disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP disclosed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP disclosed
US-4206120-A Oxaazabicycloheptane antibiotics BEECHAM GROUP LIMITED (GB) 1980-06-03 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 (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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 GSK3B 4810/4885CYP2C19 3120/4885CYP1A2 3148/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GSK3B 4023/4885CYP2C19 2178/4885CYP1A2 231/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GSK3B 4023/4885CYP2C19 2178/4885CYP1A2 231/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 GSK3B 4809/4885CYP2C19 3309/4885CYP1A2 3538/4885
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 GSK3B 975/4885CYP2C19 562/4885CYP1A2 437/4885

“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.