SCHEMBL10580319

SCHEMBL10580319

COc1ccc([N+](=O)[O-])c(NCCO)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 4/20 0.55
ALPG P10696 1/20 0.55
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR6 P50406 1/20 0.50
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KAT2B Q92831 1/20 0.49

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
SCHEMBL16407600 0.91 MAPT (0.55) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL1009970 0.89 ALDH1A1 (0.58) MAPTLMNASMN1; SMN2TDP1AKR1B10
SCHEMBL10576590 0.86 LMNA (0.68) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL111539 0.86 KAT2B (0.59) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL29392855 0.86 KAT2B (0.59) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL762553 0.86 SMN1; SMN2 (0.60) MAPTLMNASMN1; SMN2TDP1ALPG
Hydrochloric Acid SCHEMBL141377 0.84 KAT2B (0.61) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL739095 0.84 MAPT (0.64) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL16211097 0.84 MAPT (0.57) MAPTLMNASMN1; SMN2TDP1ALPG
Hydrochloric Acid SCHEMBL9760520 0.84 SMN1; SMN2 (0.55) MAPTLMNASMN1; SMN2TDP1ALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP claimed
US-4466806-A Dyeing compositions containing 3-amino-4-nitroanisole derivatives and their use in dyeing keratin fibres as well as certain new said derivatives L'OREAL (FR) 1984-08-21 US claimed
US-20250122213-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-04-17 US disclosed
US-12195478-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-01-14 US disclosed
EP-4487913-A2 OPIOID RECEPTOR MODULATORS The Trustees Of Columbia University In The City Of New York (US) 2025-01-08 EP disclosed
EP-3224261-B1 OPIOID RECEPTOR MODULATORS UNIV COLUMBIA (US) 2024-09-18 EP disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
EP-3224261-A1 OPIOID RECEPTOR MODULATORS The Trustees of Columbia University in the City of New York (US) 2017-10-04 EP disclosed
WO-2016086158-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-02 WO disclosed
US-9303023-B2 Pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-04-05 US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 US disclosed
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP disclosed
EP-2675801-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-12-25 EP disclosed
US-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-05 US disclosed
WO-2012110986-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-08-23 WO disclosed
US-4466806-A Dyeing compositions containing 3-amino-4-nitroanisole derivatives and their use in dyeing keratin fibres as well as certain new said derivatives L'OREAL (FR) 1984-08-21 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 (7 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-12195478-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MAPT 3739/4885LMNA 3314/4885SMN1; SMN2 3917/4885
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MAPT 4252/4885LMNA 3638/4885SMN1; SMN2 4640/4885
US-20250122213-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MAPT 3739/4885LMNA 3314/4885SMN1; SMN2 3917/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MAPT 3739/4885LMNA 3314/4885SMN1; SMN2 3917/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MAPT 4252/4885LMNA 3638/4885SMN1; SMN2 4640/4885
US-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY1R MAPT 1537/4885LMNA 2155/4885SMN1; SMN2 3685/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885LMNA 316/4885SMN1; SMN2 2667/4885

“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.