SCHEMBL14596287

SCHEMBL14596287

Nc1ccc(NCCN(CCNc2ccc(N)cc2)c2ccc(CCCC(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
NFKB1 P19838 2/20 0.58
GMNN O75496 1/20 0.58
LMNA P02545 1/20 0.58
CYP2D6 P10635 1/20 0.58
GABRA1 P14867 1/20 0.58
TSHR P16473 1/20 0.58
THPO P40225 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
FFAR1 O14842 4/20 0.48
HDAC6 Q9UBN7 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45

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
SCHEMBL434792 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPTNFKB1GMNN
SCHEMBL4828296 0.76 ALDH1A1 (0.51) ALDH1A1MAPTLMNAFFAR1CA1
SCHEMBL19643200 0.75 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MAPTNFKB1GMNN
SCHEMBL484008 0.75 TDP1 (0.40) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL4789384 0.75 CA12 (0.75) SMN1; SMN2ALDH1A1MAPTNFKB1GMNN
SCHEMBL14596282 0.75 MAPT (0.44) SMN1; SMN2ALDH1A1MAPTCYP2D6TSHR
SCHEMBL28105143 0.74 FFAR1 (0.50) SMN1; SMN2MAPTFFAR1HDAC6HDAC3
Chlorambucil SCHEMBL5318105 0.74 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTNFKB1GMNN
SCHEMBL2728487 0.74 FFAR1 (0.58) SMN1; SMN2ALDH1A1MAPTNFKB1GMNN
Chlorambucil SCHEMBL4308 0.74 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTNFKB1GMNN

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 SMN1; SMN2 3769/4885ALDH1A1 798/4885MAPT 2521/4885

“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.