SCHEMBL5374697

SCHEMBL5374697

CNc1cnc(C)n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.43
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 4/20 0.38
AHR P35869 1/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL5374752 0.82 AVPR1A (0.45) AVPR1AHTTMEN1KMT2ACYP1A2
SCHEMBL16041164 0.81 NTRK1 (0.42) AVPR1AHTTMAPK1KMT2ACYP1A2
SCHEMBL5378807 0.77 TSHR (0.47) AVPR1AMAPK1MEN1KMT2ACYP1A2
SCHEMBL13713425 0.76 AVPR1A (0.48) AVPR1AHTTMAPK1MEN1KMT2A
Iodide SCHEMBL29040394 0.75 AVPR1A (0.47) AVPR1AHTTMAPK1MEN1KMT2A
SCHEMBL5174895 0.73 CYP1A2 (0.54) AVPR1AHTTMAPK1MEN1KMT2A
SCHEMBL2379288 0.73 AVPR1A (0.46) AVPR1AHTTMAPK1MEN1KMT2A
SCHEMBL5172846 0.73 PI4KA (0.46) AVPR1AHTTMAPK1MEN1KMT2A
SCHEMBL27997346 0.73 AVPR1A (0.46) AVPR1AHTTMAPK1MEN1KMT2A
SCHEMBL24890358 0.72 AVPR1A (0.58) AVPR1AHTTMAPK1MEN1KMT2A

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 AVPR1A 4360/4885HTT 4672/4885MAPK1 2658/4885

“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.