SCHEMBL4144580

SCHEMBL4144580

O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.69
GPR35 Q9HC97 9/20 0.61
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL4167284 0.89 ERN1 (0.62) ERN1GPR35CA12CA1CA2
SCHEMBL7737429 0.89 ERN1 (0.62) ERN1GPR35CRHBPCRHR2CA12
SCHEMBL29674743 0.86 ERN1 (0.59) ERN1GPR35CA12CA1CA2
SCHEMBL4293562 0.86 GPR35 (0.65) ERN1GPR35CRHBPCRHR2CA12
SCHEMBL1736226 0.86 GPR35 (0.65) ERN1GPR35CRHBPCRHR2CA12
SCHEMBL752254 0.86 ERN1 (0.59) ERN1GPR35CA12CA1CA2
SCHEMBL28543052 0.86 GPR35 (0.65) ERN1GPR35CA12CA1CA2
SCHEMBL19327235 0.85 ERN1 (0.57) ERN1GPR35ALDH1A1MEN1MAPT
SCHEMBL70055 0.84 ERN1 (0.57) ERN1GPR35CRHBPCRHR2ALDH1A1
SCHEMBL928630 0.82 ERN1 (1.00) ERN1ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 US disclosed
US-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2011-05-19 US disclosed
EP-0352489-B1 USE OF 2,6-DINITROPHENOL DERIVATIVES IN HAIR DYEING COMPOSITIONS Wella Aktiengesellschaft (DE) 1992-06-17 EP disclosed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
EP-0352489-A2 Use of 2,6-dinitrophenol derivatives in hair dyeing compositions Wella Aktiengesellschaft (DE) 1990-01-31 EP disclosed
EP-0000162-B1 Method for preparing aralkyl and alkyl phenol ethers BASF Aktiengesellschaft (DE) 1980-08-20 EP disclosed
US-4192949-A FROM CORRESPONDING PHENOLS BY ETHERIFICATION WITH DIALKYL CARBONATE IN TERTIARY AMINE OR PHOSPHINE BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0000162-A1 Method for preparing aralkyl and alkyl phenol ethers BASF Aktiengesellschaft (DE) 1979-01-10 EP disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 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 (2 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-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices EPCAM, EMD, L1CAM ERN1 526/4885GPR35 4353/4885CRHBP 1692/4885
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS EFNA1, PHOSPHO1, EPHA6 ERN1 334/4885GPR35 3216/4885CRHBP 4793/4885

“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.