SCHEMBL5365946

SCHEMBL5365946

Cc1ncc(N2CCCCC2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
NPY5R Q15761 2/20 0.36
MAPK1 P28482 1/20 0.36
DAO P14920 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 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
SCHEMBL5378266 0.98 LMNA (0.37) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL28514291 0.82 KDM4E (0.46) ALDH1A1KDM4E
SCHEMBL13140501 0.72 CYP2A6 (0.42)
SCHEMBL30765670 0.71 TYMP (0.44) LMNAALDH1A1POLBDAOMAPT
Hydrochloric Acid SCHEMBL7959925 0.70 NPY5R (0.40) NPY5RROCK2ROCK1
SCHEMBL5378526 0.69 NPY5R (0.49) ALDH1A1SMN1; SMN2NPY5RMAPTKDM4E
SCHEMBL14511619 0.68 CYP2A6 (0.45) ALDH1A1SMN1; SMN2NPY5RMAPK1L3MBTL1
SCHEMBL5773947 0.68 NPY5R (0.41) NPY5RKDM4EROCK2ROCK1CYP2C9
SCHEMBL5383007 0.67 NPY5R (0.50) ALDH1A1SMN1; SMN2NPY5RMAPTKDM4E
SCHEMBL11982534 0.64 DPP4 (0.49) LMNAALDH1A1SMN1; SMN2POLBMAPT

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 LMNA 1593/4885ALDH1A1 415/4885SMN1; SMN2 4554/4885

“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.