SCHEMBL3535157

SCHEMBL3535157

Cn1c(-c2n[nH]c3c([N+](=O)[O-])cccc23)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
KLK3 P07288 1/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
LMNA P02545 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL3534930 0.80 SMN1; SMN2 (0.45) ALDH1A1RAB9APKMKMT2AMEN1
SCHEMBL3540984 0.80 RPS6KB1 (0.44) ALDH1A1RAB9APKMKMT2AMEN1
SCHEMBL3541251 0.78 RAB9A (0.45) ALDH1A1RAB9APKMKMT2AMEN1
SCHEMBL6514322 0.75 ALDH1A1 (0.62) ALDH1A1RAB9ARXFP1PKMKMT2A
SCHEMBL3535167 0.73 RAB9A (0.45) ALDH1A1RAB9AKMT2AHTTKDM4E
SCHEMBL13122675 0.72 MAPT (0.55) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL16762982 0.71 ALDH1A1 (0.71) ALDH1A1RAB9ARXFP1PKMKMT2A
SCHEMBL17829707 0.70 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL4788120 0.70 LRRK2 (0.56) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL30799435 0.69 MAPT (0.50) ALDH1A1KMT2AMEN1KDM4ENPC1

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 3 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-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 ALDH1A1 1562/4885RAB9A 2461/4885RXFP1 4779/4885

“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.