SCHEMBL5369828

SCHEMBL5369828

OC1CCN(c2[nH]c(-c3ccccc3)nc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
ALDH1A1 P00352 4/20 0.40
USP2 O75604 2/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 3/20 0.38
PRKAA1 Q13131 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 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
SCHEMBL5374225 0.78 ALDH1A1 (0.56) NPY5RALDH1A1USP2ALOX12MEN1
SCHEMBL5370973 0.77 ALDH1A1 (0.54) NPY5RALDH1A1USP2ALOX12MEN1
SCHEMBL5378297 0.76 AR (0.34) NPY5RPRKAA1PRKDCPRKAG1PRKAB1
SCHEMBL5376293 0.74 NPY5R (0.41) NPY5RKMT2ACYP2D6MAPK1PRKAA1
SCHEMBL5374987 0.73 AR (0.36) NPY5RALDH1A1USP2MAPK1PRKAA1
SCHEMBL5371632 0.71 NPY5R (0.39) NPY5RALDH1A1USP2MAPK1PRKAA1
SCHEMBL5369627 0.70 MAPK1 (0.37) NPY5RALDH1A1USP2MEN1KMT2A
SCHEMBL5371637 0.68 IRAK4 (0.42) NPY5RMAPK1PRKAA1CDC7PLK4
SCHEMBL5374140 0.68 PTPN11 (0.38) MAPK1ARP2RX7PDE10A
SCHEMBL5374177 0.68 LMNA (0.43) NPY5RCDK1CDK2MAPK12STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US claimed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US claimed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP claimed
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US disclosed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US disclosed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 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-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers KRT18, VIM, NDUFS6 NPY5R 3942/4885ALDH1A1 415/4885USP2 2772/4885

“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.