SCHEMBL13337401

SCHEMBL13337401

[N-]=[N+]=C1CCc2ccccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ MAPK13 O15264 1/20 0.56
▸ MAPK12 P53778 1/20 0.56
▸ MAPK11 Q15759 1/20 0.56
▸ MAPK14 Q16539 1/20 0.56
▸ MAPT P10636 3/20 0.49
▸ AHR P35869 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ PTK2B Q14289 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FER P16591 1/20 0.37

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
SCHEMBL9056394 0.77 NPC1 (0.64) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18173865 0.76 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2086488 0.76 NPC1 (0.62) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469101 0.74 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL407439 0.73 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4227502 0.72 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL10032 0.72 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29365738 0.72 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL30293252 0.71 NPC1 (0.96) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3697039 0.70 CES1 (0.63) NPC1MAPTALDH1A1MAOAMAOB

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-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 — — US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 — — US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 — — US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 — — 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 (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-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS TREH, TALDO1, LIPE NPC1 3069/4885MAPK13 1193/4885MAPK12 1395/4885
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds TREH, TALDO1, LIPE NPC1 3069/4885MAPK13 1193/4885MAPK12 1395/4885

“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.

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