SCHEMBL6316189

SCHEMBL6316189

[NH]CCCCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.59
LOXL2 Q9Y4K0 2/20 0.50
NAAA Q02083 1/20 0.48
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
HRH4 Q9H3N8 2/20 0.46
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6284157 0.93 HRH1 (0.56) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL726645 0.87 HRH1 (0.73) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL4413800 0.85 HRH1 (0.77) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL725306 0.85 HRH1 (0.77) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL2841394 0.85 HRH1 (0.77) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL317695 0.82
SCHEMBL351920 0.82 HRH1 (0.65) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL28055322 0.79 HRH1 (0.62) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL31673871 0.79 HRH1 (0.62) HRH1LOXL2NAAACYP1A2CYP3A4
SCHEMBL8200263 0.78 HRH1 (0.61) HRH1LOXL2CYP1A2CYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR HRH1 103/4885LOXL2 3762/4885NAAA 3747/4885

“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.