SCHEMBL5378514

SCHEMBL5378514

CNc1cncn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
FGFR1 P11362 2/20 0.39
TSHR P16473 1/20 0.38
NOS1 P29475 3/20 0.36
HTT P42858 2/20 0.36
GABRA5 P31644 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL23320080 0.78 RAB9A (0.48) RAB9AHSP90AA1HSP90AB1TSHRNOS1
SCHEMBL19367721 0.74 CYP2C9 (0.55) TSHRCYP2C9CYP3A4
SCHEMBL5369097 0.74 TSHR (0.42) RAB9AHSP90AA1HSP90AB1FGFR1TSHR
SCHEMBL3272205 0.74 CYP3A4 (0.53) RAB9AHSP90AA1HSP90AB1FGFR1NOS1
SCHEMBL23719141 0.73 TSHR (0.53) RAB9ATSHRMAOAMAOB
SCHEMBL23320044 0.72 RAB9A (0.46) RAB9AHSP90AA1HSP90AB1HTT
SCHEMBL17532964 0.71 SLC22A12 (0.38) RAB9AHSP90AA1HSP90AB1NOS1CYP2C9
SCHEMBL10183098 0.71 HSP90AA1 (0.41) RAB9AHSP90AA1HSP90AB1FGFR1NOS1
SCHEMBL20033972 0.71 HSP90AA1 (0.51) RAB9AHSP90AA1HSP90AB1FGFR1NOS1
SCHEMBL544333 0.69 NOS1 (0.42) RAB9AHSP90AA1HSP90AB1FGFR1NOS1

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 RAB9A 3755/4885HSP90AA1 3009/4885HSP90AB1 2588/4885

“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.