SCHEMBL5378566

SCHEMBL5378566

Cc1nc(N2CCCC2)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTT P42858 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
NUDT1 P36639 2/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL5387398 0.98 SMN1; SMN2 (0.44) HRH4SMN1; SMN2CRHBPCRHR2HTT
SCHEMBL5378552 0.74 KMT2A (0.53) SMN1; SMN2HTTKDM4EGAAL3MBTL1
SCHEMBL5368018 0.74 KMT2A (0.40) HRH4SMN1; SMN2CRHBPCRHR2HTT
SCHEMBL5373084 0.73 PDE10A (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL5371588 0.73 KMT2A (0.42) HRH4SMN1; SMN2CRHBPCRHR2HTT
SCHEMBL5375036 0.73 KMT2A (0.51) SMN1; SMN2HTTKDM4EGAAL3MBTL1
SCHEMBL16760068 0.73 HRH4 (0.38) HRH4SMN1; SMN2CRHBPCRHR2KDM4E
SCHEMBL5365804 0.72 KDM4E (0.47) SMN1; SMN2HTTKDM4EGAAL3MBTL1
SCHEMBL5365792 0.71 KDM4E (0.49) SMN1; SMN2HTTKDM4EGAAL3MBTL1
SCHEMBL8994019 0.68 ALDH1A1 (0.49) HRH4SMN1; SMN2CRHBPCRHR2KDM4E

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 HRH4 1050/4885SMN1; SMN2 4554/4885CRHBP 4597/4885

“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.