SCHEMBL5370283

SCHEMBL5370283

CNc1cnc(-c2ccccc2)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
COMT P21964 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LIMK1 P53667 2/20 0.41
MAPK14 Q16539 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHEK1 O14757 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LDLR P01130 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
GAA P10253 1/20 0.41
IKBKB O14920 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
SCHEMBL5374752 0.79 AVPR1A (0.45) HPGDSKDM4ELIMK1MAPK14CYP1A2
SCHEMBL5371120 0.77 HPGDS (0.44) HPGDSCYP11B1CYP11B2COMTKDM4E
SCHEMBL5374616 0.77 HSD17B10 (0.41) HPGDSCYP11B1CYP11B2KDM4ELIMK1
SCHEMBL8453399 0.76 HPGDS (0.58) HPGDSCYP11B1CYP11B2COMTPDE3B
SCHEMBL822807 0.75 HPGDS (0.77) HPGDSCYP11B1CYP11B2COMTPDE3B
SCHEMBL8306426 0.73 HPGDS (0.54) HPGDSCYP11B1CYP11B2COMTPDE3B
SCHEMBL27322957 0.73 HPGDS (0.54) HPGDSCYP11B1CYP11B2COMTPDE3B
SCHEMBL27216943 0.73 HPGDS (0.54) HPGDSCYP11B1CYP11B2COMTPDE3B
SCHEMBL28069527 0.73 HPGDS (0.54) HPGDSCYP11B1CYP11B2COMTPDE3B
SCHEMBL5376019 0.73 HPGDS (0.54) HPGDSCYP11B1CYP11B2COMTPDE3B

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 HPGDS 1550/4885CYP11B1 1387/4885CYP11B2 1287/4885

“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.