SCHEMBL5374967

SCHEMBL5374967

CN(C)c1cn(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.48
GABRB2 P47870 4/20 0.48
PTGS2 P35354 3/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GFER P55789 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5377724 0.82 GRM5 (0.41) GABRA2GABRB2CKS1BSKP1SKP2
SCHEMBL5365640 0.79 CKS1B (0.43) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL14513798 0.78 GABRA2 (0.53) GABRA2GABRB2PTGS2PTGS1TP53
SCHEMBL82549 0.74 PTGS1 (0.62) GABRA2GABRB2PTGS2KMT2APTGS1
SCHEMBL5378068 0.73 GABRA2 (0.48) GABRA2GABRB2PTGS2KMT2APTGS1
SCHEMBL5374755 0.72 GABRA2 (0.48) GABRA2GABRB2PTGS2PTGS1
SCHEMBL12361465 0.71 PTGS2 (0.54) GABRA2GABRB2PTGS2PTGS1
SCHEMBL5366240 0.71 CA1 (0.38) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL23505039 0.70 GABRA2 (0.68) GABRA2GABRB2PTGS2SMN1; SMN2
SCHEMBL28237437 0.70 GABRA2 (0.52) GABRA2GABRB2

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 GABRA2 3663/4885GABRB2 2763/4885PTGS2 1473/4885

“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.