SCHEMBL3535167

SCHEMBL3535167

Cn1c(-c2n[nH]c3c(OCc4ccccc4)cccc23)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ADORA3 P0DMS8 2/20 0.42
BRD4 O60885 1/20 0.41
PTGES O14684 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
VCP P55072 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3541251 0.84 RAB9A (0.45) RAB9ANPC1MAPTMAPK1TP53
SCHEMBL3535832 0.83 ABL1 (0.45) RAB9ANPC1BRD4PTGESMAPT
SCHEMBL3537155 0.82 KHK (0.42) RAB9ANPC1BRD4MAPK1TDP1
SCHEMBL3540087 0.80 ABL1 (0.49) RAB9APTGES
SCHEMBL3534761 0.78 PTGES (0.48) RAB9ANPC1PTGESL3MBTL1TP53
SCHEMBL3534930 0.77 SMN1; SMN2 (0.45) RAB9ANPC1MAPTMAPK1L3MBTL1
SCHEMBL3540984 0.77 RPS6KB1 (0.44) RAB9ANPC1MAPTMAPK1L3MBTL1
SCHEMBL3535157 0.73 ALDH1A1 (0.50) RAB9ANPC1MAPTMAPK1TDP1
SCHEMBL29617921 0.70 LTA4H (0.48) ADORA3BRD4MAPTMAPK1TDP1
SCHEMBL3533928 0.68 ADORA1 (0.44) RAB9ANPC1MAPTMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK RAB9A 2461/4885NPC1 1789/4885ADORA3 4301/4885

“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.