SCHEMBL1979867

SCHEMBL1979867

CN(C)CC(C)(C)CNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.48
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HTT P42858 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
IDO1 P14902 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL17145916 0.86 METAP2 (0.41) KAT2BMEN1KMT2AALDH1A1TDP1
SCHEMBL22725447 0.84 PDK1 (0.52) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL4939981 0.82 KMT2A (0.45) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL4939990 0.82 KMT2A (0.45) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL16655113 0.80 KAT2B (0.57) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL6278066 0.79 MAPT (0.54) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL22716911 0.79 KAT2B (0.56) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL5693295 0.79 KMT2A (0.50) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL3998124 0.78 ALDH1A1 (0.50) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL3998130 0.78 ALDH1A1 (0.50) KAT2BMAPTL3MBTL1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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 (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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 KAT2B 3149/4885MAPT 3150/4885L3MBTL1 4153/4885

“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.