Sugi Predict

Sugi Predict / Compounds / SCHEMBL4065875

SCHEMBL4065875

SCHEMBL4065875

O=[N+]([O-])c1ccc2c(C=Cc3ccccn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 7/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SNCA P37840 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ AGTR1 P30556 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL30295592 1.00 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9ASNCA
SCHEMBL4065872 1.00 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9ASNCA
SCHEMBL5211624 0.88 CYP1A2 (0.34) ALDH1A1MAPTNPC1RAB9ACNR2
SCHEMBL30236077 0.85 CYP4F2 (0.37) NPC1RAB9ADGAT2KMT2AMEN1
SCHEMBL30388040 0.85 CYP4F2 (0.37) NPC1RAB9ADGAT2KMT2AMEN1
SCHEMBL4053575 0.85 RET (0.37) NPC1RAB9ADGAT2KMT2AMEN1
SCHEMBL4053570 0.85 RET (0.37) NPC1RAB9ADGAT2KMT2AMEN1
SCHEMBL32682437 0.85 RET (0.33) NPC1RAB9ADGAT2KMT2AMEN1
SCHEMBL4905166 0.85 CYP4F2 (0.37) NPC1RAB9ADGAT2KMT2AMEN1
SCHEMBL4905180 0.85 CYP4F2 (0.37) NPC1RAB9ADGAT2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806549-A Synthesis method of axitinib impurity M 山东新时代药业有限公司 2023-03-17 — — CN disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 — — EP disclosed
WO-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 — — WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 — — WO disclosed
EP-1814859-A2 METHODS FOR PREPARING INDAZOLE COMPOUNDS Pfizer, Inc. (US) 2007-08-08 — — EP disclosed
EP-1809625-A1 METHODS FOR PREPARING INDAZOLE COMPOUNDS Pfizer, Inc. (US) 2007-07-25 — — EP disclosed
WO-2006048745-A1 METHODS FOR PREPARING INDAZOLE COMPOUNDS PFIZER INC. (US) 2006-05-11 — — WO disclosed
WO-2006048761-A2 METHODS FOR PREPARING INDAZOLE COMPOUNDS PFIZER INC. (US) 2006-05-11 — — 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 (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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ALDH1A1 2328/4885MAPT 3758/4885NPC1 3092/4885

“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.