SCHEMBL1646005

SCHEMBL1646005

CN(C)c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
TSHR P16473 4/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
GFER P55789 1/20 0.44
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL883438 0.90 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL635376 0.87 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL31633568 0.81 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Trimethylammonium SCHEMBL27527350 0.79 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10MAPK1TDP1
SCHEMBL10494067 0.79 TDP1 (0.41) ALDH1A1TSHRHSD17B10TDP1HPGD
SCHEMBL22041575 0.78 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10MAPK1TDP1
Fluoride Ion SCHEMBL10902267 0.76 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Ethane SCHEMBL2219423 0.76 TSHR (0.39) ALDH1A1TSHRTDP1GLACYP3A4
SCHEMBL16187039 0.76
SCHEMBL21208167 0.76 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999100-B2 Method for chiral inversion of (S)-(+)-and (R)-(−)-10,11-dihydro-10-hydroxy-5H-dibenz/b,f/azepine-5-carboxamide and optically enriched mixtures thereof Bial-Portela CA & S.A. (PT) 2011-08-16 US claimed
EP-1789395-B8 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF BIAL PORTELA & CA SA (PT) 2009-08-12 EP claimed
EP-1789395-B1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF BIAL PORTELA & CA SA (PT) 2009-01-14 EP claimed
US-20080293934-A1 Method for Chiral Inversion of (S)-(+)-and (R)-(-)-10,11-Dihydro-10-Hydroxy-5H-Dibenz/B,F/Azepine-5-Carboxamide and Optically Enriched Mixtures Thereof BIAL - PORTELA & CA, S.A. (PT) 2008-11-27 US claimed
EP-1789395-A1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF Portela & CA SA (PT) 2007-05-30 EP claimed
WO-2006005951-A1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF PORTELA & C.A. S.A. (PT) 2006-01-19 WO claimed
CN-103502315-B Composition and polymer 旭化成株式会社 2016-08-17 CN disclosed
CN-105754099-A Composition and polymer 旭化成株式会社 2016-07-13 CN disclosed
CN-103502315-A Composition and polymer ASAHI KASEI CHEMICALS CORP 2014-01-08 CN disclosed
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
US-7999100-B2 Method for chiral inversion of (S)-(+)-and (R)-(−)-10,11-dihydro-10-hydroxy-5H-dibenz/b,f/azepine-5-carboxamide and optically enriched mixtures thereof Bial-Portela CA & S.A. (PT) 2011-08-16 US disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP disclosed
EP-1789395-A1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF Portela & CA SA (PT) 2007-05-30 EP disclosed
WO-2006005951-A1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF PORTELA & C.A. S.A. (PT) 2006-01-19 WO disclosed
EP-1461341-A1 PROCESS FOR PREPARING A HETEROAROMATIC COMPOUND SUBSTITUTED WITH ONE OR MORE ETHER GROUPS Agfa-Gevaert (BE) 2004-09-29 EP disclosed
US-6734312-B2 CONDENSING HYDROXY- GROUP OF A COMPOUND HAVING HETEROAROMATIC NUCLEUS, WITH AN ALCOHOL CONTAINING ONE OR MORE PRIMARY OR SECONDARY ALCOHOL GROUPS, OPTIONALLY USING THE REDOX COUPLE OF A TRIARYL- OR TRIALKYLPHOSPHINE AND AN AZODIOXO-COMPOUND AGFA-GEVAERT (BE) 2004-05-11 US disclosed
US-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents AGFA-GEVAERT (BE) 2003-08-28 US disclosed
WO-2003055889-A1 PROCESS FOR PREPARING A HETEROAROMATIC COMPOUND SUBSTITUTED WITH ONE OR MORE ETHER GROUPS AGFA-GEVAERT (BE) 2003-07-10 WO disclosed
US-5326875-A Alkylation of azaglycine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-05 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 (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-20080293934-A1 Method for Chiral Inversion of (S)-(+)-and (R)-(-)-10,11-Dihydro-10-Hydroxy-5H-Dibenz/B,F/Azepine-5-Carboxamide and Optically Enriched Mixtures Thereof HTR2B, HTR5A, FHIT ALDH1A1 1479/4885TSHR 2068/4885HSD17B10 381/4885
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 ALDH1A1 614/4885TSHR 1365/4885HSD17B10 4271/4885
US-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents ADH1C, ADH1A, CYP2E1 ALDH1A1 500/4885TSHR 1485/4885HSD17B10 93/4885

“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.