SCHEMBL5378807

SCHEMBL5378807

Cc1ncc(NCCO)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 4/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
CYP2C19 P33261 1/20 0.38
GLA P06280 2/20 0.37
AVPR1A P37288 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
RAD52 P43351 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 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
SCHEMBL5383913 0.84 TSHR (0.46) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL5374697 0.77 AVPR1A (0.43) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL16041164 0.76 NTRK1 (0.42) TSHRALDH1A1GAARAB9AKMT2A
SCHEMBL5374152 0.74 KDM4E (0.39) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL5371120 0.73 HPGDS (0.44) KDM4EALDH1A1POLBGAARAB9A
SCHEMBL5371683 0.71 ALDH1A1 (0.47) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL5366186 0.71 TSHR (0.48) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL5366183 0.71 TSHR (0.48) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL9051075 0.70 NTRK1 (0.60) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL16040054 0.70 ALDH1A1 (0.44) KDM4EALDH1A1POLBKMT2AMEN1

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 TSHR 4859/4885KDM4E 452/4885ALDH1A1 415/4885

“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.