SCHEMBL6239446

SCHEMBL6239446

CNCCCCCCN(C)c1ccc(N)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.45
NOS1 P29475 5/20 0.37
NOS2 P35228 5/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SKP2 Q13309 1/20 0.34
SYK P43405 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NOS3 P29474 2/20 0.32
PIK3CD O00329 1/20 0.32
APAF1 O14727 1/20 0.31
MAPT P10636 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL9484916 0.83 S100B (0.53) S100BALDH1A1CYP3A4TSHRTDP1
SCHEMBL27603360 0.83 NOS1 (0.33) NOS1NOS2SYKSIGMAR1MAPT
SCHEMBL29740664 0.81 S100B (0.60) S100BNOS1ALDH1A1CYP3A4TSHR
SCHEMBL10955324 0.81 S100B (0.60) S100BNOS1ALDH1A1CYP3A4TSHR
SCHEMBL5500237 0.80 S100B (0.49) S100BNOS1NOS2ALDH1A1CYP3A4
SCHEMBL6234580 0.80 ALDH1A1 (0.41) NOS1NOS2ALDH1A1CYP3A4TSHR
SCHEMBL5502903 0.78 S100B (0.50) S100BNOS1NOS2ALDH1A1CYP3A4
SCHEMBL6390732 0.78 ALDH1A1 (0.42) NOS1NOS2ALDH1A1CYP3A4TSHR
SCHEMBL16003239 0.76 S100B (0.55) S100BNOS1NOS2ALDH1A1CYP3A4
SCHEMBL26515833 0.76 RAB9A (0.45) ALDH1A1TSHRSYKSIGMAR1MAPT

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-20050132507-A1 Tertiary p-phenylenediamines, dyes compositions, and dyeing processes L'OREAL S.A. (FR) 2005-06-23 US disclosed
EP-1535899-A1 Dyeing composition comprising at least one tertiary particular p-phenylenediamine, colouring method using same L'OREAL (FR) 2005-06-01 EP 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-20050132507-A1 Tertiary p-phenylenediamines, dyes compositions, and dyeing processes KRT18, CDC73, DSP S100B 135/4885NOS1 2637/4885NOS2 3242/4885

“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.