SCHEMBL4804050

SCHEMBL4804050

Nc1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ESRRG P62508 2/20 0.46
LTA4H P09960 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM1A O60341 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
MCHR1 Q99705 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
NSD2 O96028 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2259794 0.98 ALDH1A1 (0.47) ALDH1A1ESRRGLTA4HPTGS1PTGS2
Hydrochloric Acid SCHEMBL4809872 0.96 ALDH1A1 (0.46) ALDH1A1ESRRGLTA4HPTGS1PTGS2
SCHEMBL18570582 0.91 APP (0.43) ESRRGLTA4HPTGS1PTGS2ADRA2A
SCHEMBL3988708 0.88 BACE1 (0.50) ALDH1A1LTA4HPTGS1PTGS2SIGMAR1
Hydrochloric Acid SCHEMBL4808510 0.86 BACE1 (0.49) ALDH1A1ESRRGLTA4HPTGS1PTGS2
SCHEMBL31606858 0.84 LMNA (0.54) ALDH1A1ADRA2CGAAKDM1ASIGMAR1
SCHEMBL23963161 0.83 CHRM1 (0.49) ESRRGL3MBTL1SIGMAR1MCHR1HRH3
SCHEMBL3222264 0.83 CD274 (0.55) ALDH1A1GAAL3MBTL1KDM1AAPAF1
SCHEMBL10891769 0.82 CNR1 (0.59) ALDH1A1GAASIGMAR1MCHR1HRH3
SCHEMBL23671492 0.82 SIGMAR1 (0.56) ALDH1A1ESRRGLTA4HPTGS2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US claimed
US-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL 2006-02-09 US claimed

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-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof KRT18, CDC73, PRKDC ALDH1A1 1045/4885ESRRG 4115/4885LTA4H 4151/4885

“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.