SCHEMBL4238565

SCHEMBL4238565

Nc1c(CCO)c(CCO)c(N)c([N+](=O)[O-])c1CCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.33
HNF4A P41235 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
GAA P10253 1/20 0.31
IMPDH2 P12268 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6293659 0.90 TSHR (0.38) TSHRHSP90AA1HNF4AALDH1A1SMN1; SMN2
SCHEMBL9565733 0.87 TSHR (0.30) TSHR
SCHEMBL9820279 0.81 TSHR (0.35) TSHRHSP90AA1HNF4AALDH1A1SMN1; SMN2
SCHEMBL9820250 0.77 SMN1; SMN2 (0.40) TSHRALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL211655 0.75 HTT (0.39) TSHRHSP90AA1HNF4AALDH1A1SMN1; SMN2
SCHEMBL7521032 0.75 TDP1 (0.30) TDP1
SCHEMBL8849833 0.74 SNCA (0.38) TSHRHSP90AA1HNF4AALDH1A1GAA
SCHEMBL198863 0.74 ALDH1A1 (0.44) TSHRHSP90AA1HNF4AALDH1A1SMN1; SMN2
SCHEMBL1933923 0.73 TSHR (0.47) TSHRHSP90AA1HNF4AALDH1A1TDP1
SCHEMBL10580043 0.73 ALDH1A1 (0.35) TSHRALDH1A1SMN1; SMN2TDP1GAA

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
EP-0547414-A2 Process for the preparation of N-substituted nitro-p-phenylenediamines HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP claimed
WO-2009013779-A2 SUBSTANTIVE PHOTOSTABLE DYES AND METHOD FOR THE PRODUCTION THEREOF UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2009-01-29 WO disclosed
US-20080276384-A1 HAIR DYE COMPOSITIONS ARIMINO CO., LTD. (JP) 2008-11-13 US disclosed
US-6368360-B2 A DIRECT DYE CONTAINING QUATERNARY AMMONIUM SALT IS MIXED WITH AN OXIDIZING AGENT AT BASIC PH AT THE TIME OF DYEING OF KERATIN FIBERS, IN PARTICULAR THE HAIR L'OREAL S.A. (FR) 2002-04-09 US disclosed
US-20010001333-A1 DYE COMPOSITION FOR KERATIN FIBRES COMPRISING A SPECIFIC DIRECT DYE HENRI SAMAIN 2001-05-24 US disclosed
EP-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed
US-5980587-A APPLYING DYE MIXTURE COMPRISING DIRECT DYE, OXIDIZING AGENT AND BASIFICATION AGENT TO KERATIN FIBERS SUCH AS HAIR L'OREAL (FR) 1999-11-09 US disclosed
EP-0648204-B1 AMINO DEOXYALDITOL LIPOPHILIC DERIVATIVES FOR USE IN COSMETICS, COSMETIC COMPOSITIONS CONTAINING SAME AND NOVEL ALKYL CARBAMATES OREAL (FR) 1998-11-18 EP disclosed
EP-0810851-A1 ENLIGHTNING DYEING COMPOSITION FOR KERATINIC FIBRES COMPRISING A DIRECT SPECIFIC DYE L'OREAL (FR) 1997-12-10 EP disclosed
WO-1997020545-A1 ENLIGHTNING DYEING COMPOSITION FOR KERATINIC FIBRES COMPRISING A DIRECT SPECIFIC DYE L'OREAL (FR) 1997-06-12 WO disclosed
EP-0648204-A1 AMINO DEOXYALDITOL LIPOPHILIC DERIVATIVES FOR USE IN COSMETICS, COSMETIC COMPOSITIONS CONTAINING SAME AND NOVEL ALKYL CARBAMATES L'OREAL (FR) 1995-04-19 EP disclosed
WO-1994024097-A1 AMINO DEOXYALDITOL LIPOPHILIC DERIVATIVES FOR USE IN COSMETICS, COSMETIC COMPOSITIONS CONTAINING SAME AND NOVEL ALKYL CARBAMATES L'OREAL (FR) 1994-10-27 WO disclosed
EP-0547414-A2 Process for the preparation of N-substituted nitro-p-phenylenediamines HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP 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-20010001333-A1 DYE COMPOSITION FOR KERATIN FIBRES COMPRISING A SPECIFIC DIRECT DYE KRT18, IK, CYBA TSHR 4684/4885HSP90AA1 2732/4885HNF4A 3471/4885

“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.