SCHEMBL2983003

SCHEMBL2983003

Cc1cc(N)ccc1NCc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MITF O75030 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PRUNE1 Q86TP1 1/20 0.35
RAD52 P43351 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
SCHEMBL2979013 0.83 ALDH1A1 (0.36) TDP1ALDH1A1TSHRMITFPRUNE1
SCHEMBL7560152 0.81 MAPT (0.47) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6739713 0.81 S100B (0.38) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6259279 0.79 TNIK (0.49) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6069347 0.78 PRUNE1 (0.33) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL2988963 0.77 CNR2 (0.48) MAPTMEN1KMT2ATDP1POLB
Hydrochloric Acid SCHEMBL2990577 0.77 TNIK (0.48) MAPTMEN1KMT2ATDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL6069257 0.77 ALDH1A1 (0.33) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL2982992 0.76 MAPT (0.42) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL6141936 0.76 APP (0.39) MAPTMEN1KMT2ATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US disclosed
EP-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 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-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM MAPT 725/4885MEN1 4053/4885KMT2A 1676/4885

“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.