SCHEMBL6069324

SCHEMBL6069324

Nc1cc(NCc2ccccc2)ccc1OCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
FFAR1 O14842 4/20 0.44
DHFR P00374 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
C5AR1 P21730 2/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL5692979 0.82 NPC1 (0.45) KITFLT3HDAC1HDAC2
SCHEMBL5692954 0.82 HPGD (0.45) KITFLT3FFAR1KLK1KLK5
SCHEMBL8522825 0.81 TDP1 (0.43) KLK1KLK5MEN1TP53GAA
SCHEMBL5692901 0.80 ALDH1A1 (0.47) MEN1TP53GAAMAPTKMT2A
SCHEMBL11693812 0.80 HDAC1 (0.53) DHFRHDAC1HDAC2TP53GAA
SCHEMBL5693080 0.79 L3MBTL1 (0.49) GAAMAPTHTTPTPN1PTPN11
SCHEMBL6738073 0.78 MAPT (0.42) KITFLT3DHFRKLK1KLK5
SCHEMBL15348276 0.78 HDAC1 (0.49) FFAR1DHFRHDAC1HDAC2PTPN1
SCHEMBL6069202 0.78 PTGDR2 (0.45) HDAC1MEN1GAAMAPTKMT2A
Hydrochloric Acid SCHEMBL6069400 0.77 PTGDR2 (0.44) KITFLT3HDAC1MEN1TP53

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-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US disclosed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 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-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds KRT18, VIM, KPNB1 KIT 1359/4885FLT3 4307/4885FFAR1 4202/4885

“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.