SCHEMBL14596282

SCHEMBL14596282

Nc1ccc(NCCN(CCNc2ccc(N)cc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
CYP3A4 P08684 3/20 0.44
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX12 P18054 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
APP P05067 2/20 0.40
PSMD14 O00487 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL484008 0.83 TDP1 (0.40) MAPTALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL6842001 0.82 MAPT (0.45) MAPTALDH1A1L3MBTL1HTTTDP1
SCHEMBL11518218 0.78 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL9452414 0.76 MAPT (0.61) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL14596287 0.75 SMN1; SMN2 (0.58) MAPTALDH1A1CYP2D6RAB9ATSHR
SCHEMBL4315388 0.75 ALDH1A1 (0.46) MAPTALDH1A1HTTTDP1MEN1
SCHEMBL180817 0.73 APP (0.55) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL6318640 0.73 HRH3 (0.46) MAPTALDH1A1CYP3A4HTTCYP1A2
SCHEMBL5157848 0.73 APP (0.44) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL5692969 0.72 PRSS1 (0.39) MAPTALDH1A1L3MBTL1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their use in dyeing L'OREAL (FR) 2007-01-03 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-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers KRT18, DSP, CDC73 MAPT 2521/4885ALDH1A1 798/4885L3MBTL1 2864/4885

“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.