Sugi Predict

Sugi Predict / Compounds / SCHEMBL3534329

SCHEMBL3534329

SCHEMBL3534329

C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N(C=O)c3n[nH]c4ccccc34)c2)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 2/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.32
▸ HTT P42858 2/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL3538401 0.85 NTRK1 (0.37) NTRK1ALDH1A1GAAKMT2ANPSR1
SCHEMBL6610162 0.77 MAPT (0.43) MAPTPOLBGAAKMT2ALMNA
SCHEMBL6602000 0.76 NOS1 (0.43) MAPTRAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL6599003 0.71 MAPT (0.45) MAPTPOLBKMT2ALMNAL3MBTL1
SCHEMBL23360714 0.66 LMNA (0.61) MAPTRAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5054816 0.66 LMNA (0.61) MAPTRAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL21032675 0.66 LMNA (0.61) MAPTRAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL3603190 0.66 LMNA (0.61) MAPTRAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL30168945 0.66 LMNA (0.61) MAPTRAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL6601877 0.66 MAPT (0.44) MAPTRAB9AALDH1A1GAAKMT2A

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-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-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 — — US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 — — US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 — — EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 — — US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 — — WO 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 (2 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 MAPT 19/4885RAB9A 2461/4885POLB 2753/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 MAPT 1127/4885RAB9A 3209/4885POLB 1795/4885

“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.