SCHEMBL5157623

SCHEMBL5157623

Cc1cc(N)ccc1NCCN(C)CCNc1ccc(N)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RAD52 P43351 1/20 0.38
HTT P42858 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NQO2 P16083 4/20 0.37
NCF1 P14598 2/20 0.36
AR P10275 1/20 0.36
VDR P11473 1/20 0.36
CASP1 P29466 1/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL5461218 0.98 ALDH1A1 (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14596311 0.92 MAPT (0.35) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18570649 0.85 NQO2 (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18570561 0.83 SMN1; SMN2 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18570564 0.83 NQO2 (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6369704 0.82 NQO2 (0.47) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4823208 0.82 L3MBTL1 (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3859827 0.81 MAPT (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL24671122 0.80 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6377800 0.80 NQO2 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 5 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
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
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 ALDH1A1 798/4885MAPT 2521/4885CYP1A2 4259/4885

“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.