SCHEMBL5378526

SCHEMBL5378526

c1ccc(-c2ncc(N3CCCCC3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.49
SCN2A Q99250 2/20 0.49
DRD4 P21917 5/20 0.47
DRD2 P14416 4/20 0.47
DRD3 P35462 3/20 0.47
HTR1A P08908 1/20 0.45
HTR3A P46098 1/20 0.45
PIN1 Q13526 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5383007 0.98 NPY5R (0.50) NPY5RSCN2ADRD4DRD2DRD3
SCHEMBL11888892 0.84 DRD2 (0.48) NPY5RSCN2ADRD4DRD2DRD3
SCHEMBL5376293 0.76 NPY5R (0.41) NPY5RSCN2ADRD4DRD2DRD3
SCHEMBL27635258 0.70 HSD17B10 (0.50) NPY5RSCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL29899042 0.70 HTR7 (0.54) HTR1AHTR3AHSD17B10ALDH1A1TSHR
SCHEMBL5365946 0.69 LMNA (0.40) NPY5RSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL5370973 0.69 ALDH1A1 (0.54) NPY5RNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL13606214 0.68 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8182367 0.68 ALDH1A1 (0.56) NPY5RHSD17B10ALDH1A1KMT2AGAA
SCHEMBL5378266 0.67 LMNA (0.37) NPY5RSMN1; SMN2ALDH1A1TSHRKDM4E

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 7 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
CN-102548991-B Imidazopyridine or imidazopyrimidine derivatives as phosphodiesterase 10A inhibitors HOFFMANN LA ROCHE 2015-03-25 CN disclosed
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 NPY5R 3942/4885SCN2A 3404/4885DRD4 4131/4885

“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.