SCHEMBL5481820

SCHEMBL5481820

CN(CCO)c1cccc(NCC(O)CO)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.35
MAPT P10636 10/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KAT2B Q92831 1/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
AGTR1 P30556 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9771631 0.82 GLA (0.44) ALDH1A1GLAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5065154 0.78 KAT2B (0.44) ALDH1A1GLAMAPTKAT2BHPGD
SCHEMBL3667437 0.77 GPR35 (0.45) ALDH1A1GLAMAPTMEN1KMT2A
SCHEMBL111249 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EGLAMAPTMEN1
SCHEMBL10480222 0.76 GLA (0.40) ALDH1A1GLAMAPTKMT2AKAT2B
Hydrochloric Acid SCHEMBL1136861 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EGLAMAPTMEN1
SCHEMBL9690094 0.71 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL5878676 0.70 MEN1 (0.51) ALDH1A1KDM4EGLAMAPTMEN1
SCHEMBL9771684 0.70 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AKAT2B
SCHEMBL7719478 0.69 GLA (0.39) ALDH1A1GLAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 118/4885KDM4E 2256/4885GLA 778/4885

“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.