SCHEMBL6206260

SCHEMBL6206260

Cc1ccccc1Cc1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CD44 P16070 1/20 0.44
LTA4H P09960 1/20 0.44
ALOX15 P16050 2/20 0.41
CASP7 P55210 2/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL29477327 0.85 TAAR1 (0.56) TAAR1ALDH1A1HPGDLTA4HTSHR
SCHEMBL2090458 0.85 TAAR1 (0.56) TAAR1ALDH1A1HPGDLTA4HTSHR
SCHEMBL29373097 0.85 CYP3A4 (0.53) CYP3A4TDP1ALDH1A1HPGDALOX15
SCHEMBL36019 0.85 CYP3A4 (0.53) CYP3A4TDP1ALDH1A1HPGDALOX15
SCHEMBL450599 0.85 CYP3A4 (0.46) CYP3A4TDP1TAAR1ALDH1A1HPGD
SCHEMBL1759362 0.83 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL11743462 0.83 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1HPGDALOX15
SCHEMBL29772212 0.83 TAAR1 (0.54) TAAR1ALDH1A1HPGDLTA4HTSHR
Ammonia Solution, Strong SCHEMBL9517239 0.83 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1HPGDALOX15
SCHEMBL9719138 0.83 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668039-B1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2015-06-03 EP disclosed
WO-2013068966-A2 COSMETIC COMPOSITION COMPRISING AN UREA OR AMIDE BASED ALPHA-ALKOXYSILANE L'OREAL (FR) 2013-05-16 WO disclosed
US-20090182143-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-07-16 US disclosed
US-7393846-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-07-01 US disclosed
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
US-7384962-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-10 US disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-7223789-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-29 US disclosed
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 US disclosed
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 US disclosed
EP-0286029-A1 Alkylation of aromatic amines over A1 exchanged zeolites AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-10-12 EP disclosed
US-4760184-A Reacting with alcohol, olefin or diolefin in presence of alkylating catalyst of larger microspores AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-07-26 US disclosed
US-4740620-A HIGH SELECTIVITY TO THE ORTHO POSITION AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-04-26 US disclosed
EP-0245797-A2 Alkylation of aromatic amines in the presence of non-zeolitic molecular sieves AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-11-19 EP disclosed
EP-0226781-A1 Alkylation of aromatic amines in the presence of acidic, crystalline molecular sieves AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-07-01 EP disclosed
US-4632987-A FORMYLATION, HYDROLYSIS, CONDENSATION OF BENZENE AND NAPHTHALENE COMPOUNDS MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1986-12-30 US disclosed
US-4469609-A OXIDATION RESISTANCE UNIROYAL, INC. (US) 1984-09-04 US disclosed
EP-0036116-B1 METHOD OF PREPARING AZO DYESTUFFS BAYER AG (DE) 1983-05-18 EP disclosed
EP-0036116-A2 Method of preparing azo dyestuffs BAYER AG (DE) 1981-09-23 EP disclosed
US-3985376-A Dye precursors for pressure-sensitive recording material BASF AKTIENGESELLSCHAFT (DT) 1976-10-12 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 (4 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-20090182143-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 CYP3A4 17/4885TDP1 612/4885TAAR1 1422/4885
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 CYP3A4 594/4885TDP1 4379/4885TAAR1 917/4885
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 CYP3A4 17/4885TDP1 612/4885TAAR1 1422/4885
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 CYP3A4 17/4885TDP1 612/4885TAAR1 1422/4885

“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.