SCHEMBL5369691

SCHEMBL5369691

c1ccc(-n2cncc2N2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
HPGD P15428 6/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 4/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.38
CHKA P35790 1/20 0.37
L3MBTL1 Q9Y468 5/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5371075 0.98 NPC1 (0.41) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL5365916 0.75 NOTUM (0.38) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL5365790 0.70 GAA (0.44) NPC1RAB9AHPGDALDH1A1MAPT
Cyclohexane SCHEMBL27743405 0.70 L3MBTL1 (0.59) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL1968506 0.70 L3MBTL1 (0.59) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL93630 0.70 L3MBTL1 (0.59) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL2312380 0.70 L3MBTL1 (0.59) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL8542780 0.70 L3MBTL1 (0.59) NPC1RAB9AHPGDALDH1A1MAPT
Benzene SCHEMBL28818227 0.70 L3MBTL1 (0.59) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL28105340 0.70 L3MBTL1 (0.59) NPC1RAB9AHPGDALDH1A1MAPT

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 NPC1 4789/4885RAB9A 3755/4885HPGD 322/4885

“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.