SCHEMBL4852028

SCHEMBL4852028

CC(O)N(N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 9/20 0.45
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX5 P09917 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
Sulfuric Acid SCHEMBL6528425 0.90 ALDH1A1 (0.43) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL7372396 0.80 AOC3 (0.40) AOC3KDM4ELMNAALDH1A1SLC6A2
Hydrochloric Acid SCHEMBL6287950 0.78 AOC3 (0.39) AOC3KDM4ELMNAALDH1A1SLC6A2
SCHEMBL2721666 0.76 ALDH1A1 (0.42) AOC3ADRA2ALMNAALDH1A1ALOX5
SCHEMBL1983878 0.76 ALDH1A1 (0.42) AOC3ADRA2ALMNAALDH1A1ALOX5
SCHEMBL5076555 0.75 ALDH1A1 (0.46) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL104211 0.75 POLB (0.44) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL27578487 0.74 AOC3 (0.47) AOC3ALDH1A1ALOX5SLC6A2SLC6A4
SCHEMBL12157017 0.73 SLC6A2 (0.48) AOC3KDM4ELMNAALDH1A1SLC6A2
SCHEMBL28313320 0.73 ALDH1A1 (0.52) AOC3KDM4EADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7455697-B2 (3,5-diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers WELLA AG (DE) 2008-11-25 US disclosed
US-20070180629-A1 (3,5-Diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers Wella GmbH (DE) 2007-08-09 US disclosed
US-6180818-B1 COMPOUND PROVIDING IMPROVED STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 2001-01-30 US disclosed
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed
US-4260770-A Naphtholactam dyes CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-04-07 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 (1 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-20070180629-A1 (3,5-Diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers GRHPR, MB, COX5B AOC3 285/4885KDM4E 2256/4885ADRA2A 310/4885

“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.