SCHEMBL1792016

SCHEMBL1792016

NN(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
AOC3 Q16853 3/20 0.38
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
HTR3E A5X5Y0 1/20 0.35

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
SCHEMBL193916 1.00 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1TDP1KDM4E
Ammonia Solution, Strong SCHEMBL28873134 0.97 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL250009 0.97 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1TDP1KDM4E
Water SCHEMBL8817645 0.97 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1TDP1KDM4E
Ammonia Solution, Strong SCHEMBL28763213 0.97 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL1718427 0.94 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1TDP1KDM4E
Cyclohexane SCHEMBL21625751 0.91 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL20670455 0.88 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL21788097 0.88 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL21763039 0.86 TAAR1 (0.48) ALDH1A1MAPTL3MBTL1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421725-B2 Alkoxyamines for the treatment of cancers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-24 US disclosed
US-9783514-B2 Method for preparing methylated amines COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-10 US disclosed
US-20160115130-A1 ALKOXYAMINES FOR THE TREATMENT OF CANCERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-04-28 US disclosed
EP-3010881-A1 ALKOXYAMINES FOR THE TREATMENT OF CANCERS Centre National de la Recherche Scientifique (FR) 2016-04-27 EP disclosed
US-9133135-B2 Method for preparing nitrogen compounds COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-09-15 US disclosed
US-20150152072-A1 Method For Preparing Methylated Amines COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-06-04 US disclosed
US-20150148535-A1 Method For Preparing Nitrogen Compounds COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-05-28 US disclosed
WO-2015001436-A1 ALKOXYAMINES FOR THE TREATMENT OF CANCERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-01-08 WO disclosed
US-8877971-B2 Method for preparing formamide compounds COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-11-04 US disclosed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 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 (6 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-20150148535-A1 Method For Preparing Nitrogen Compounds GAP43, PNPO, NT5E ALDH1A1 1652/4885MAPT 1705/4885L3MBTL1 3504/4885
US-20150152072-A1 Method For Preparing Methylated Amines CHRM5, KDM5A, DNMT1 ALDH1A1 1233/4885MAPT 1159/4885L3MBTL1 2679/4885
US-20160115130-A1 ALKOXYAMINES FOR THE TREATMENT OF CANCERS ERBB2, ALK, EGFR ALDH1A1 62/4885MAPT 2687/4885L3MBTL1 1869/4885
US-10421725-B2 Alkoxyamines for the treatment of cancers ERBB2, ALK, EGFR ALDH1A1 62/4885MAPT 2687/4885L3MBTL1 1869/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 ALDH1A1 328/4885MAPT 2889/4885L3MBTL1 1455/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 ALDH1A1 334/4885MAPT 3734/4885L3MBTL1 1508/4885

“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.