SCHEMBL2908549

SCHEMBL2908549

O=C(O)c1c[nH]c2cc(O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR2C P28335 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48

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
SCHEMBL1559466 0.87 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL214780 0.85 ALDH1A1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6773778 0.85 PBRM1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1081795 0.85 F7 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2434449 0.81 NR4A2 (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31048762 0.81 NR4A2 (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6419348 0.81 F7 (0.51) F7F3ALDH1A1HPGDCYP1A2
SCHEMBL2818109 0.79 KDM4E (0.66) F7F3ALDH1A1HPGDCYP1A2
SCHEMBL14631139 0.79 F7 (0.50) F7F3ALDH1A1HPGDCYP1A2
SCHEMBL30914308 0.79 CYP2A6 (0.54) F7F3ALDH1A1HPGDCYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US claimed
EP-0446132-B1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions OREAL (FR) 1994-09-14 EP claimed
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US claimed
EP-0446132-A1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions L'OREAL (FR) 1991-09-11 EP claimed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US claimed
EP-0360638-A1 Process for dyeing keratinous fibres with an indole derivative associated with a nitrite, and composition therefor L'OREAL (FR) 1990-03-28 EP claimed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
CN-103796992-B Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2016-04-27 CN disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 WO disclosed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US disclosed
EP-0446132-B1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions OREAL (FR) 1994-09-14 EP disclosed
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US disclosed
US-5207798-A Hair dyes L'OREAL (FR) 1993-05-04 US disclosed
EP-0446132-A1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions L'OREAL (FR) 1991-09-11 EP disclosed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US disclosed
EP-0360638-A1 Process for dyeing keratinous fibres with an indole derivative associated with a nitrite, and composition therefor L'OREAL (FR) 1990-03-28 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 (3 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-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses CDC73, KRT18, PAH HTR3E 1579/4885HTR3B 997/4885HTR3A 1360/4885
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 HTR3E 346/4885HTR3B 122/4885HTR3A 164/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 HTR3E 277/4885HTR3B 120/4885HTR3A 153/4885

“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.