SCHEMBL9945008

SCHEMBL9945008

CCCNC(=O)c1cc([N+](=O)[O-])c(NC2(C)CC2)cc1N(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
HCAR3 P49019 2/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 4/20 0.35
ERN1 O75460 1/20 0.35
GAA P10253 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
NAMPT P43490 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR2 Q13324 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 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
SCHEMBL9945009 0.83 ALDH1A1 (0.34) LMNAPOLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL9945007 0.83 NPC1 (0.40) LMNAHCAR3POLBALDH1A1ERN1
SCHEMBL9944994 0.74 ALDH1A1 (0.42) LMNAHCAR3POLBALDH1A1ERN1
SCHEMBL9944852 0.70 HCAR3 (0.46) LMNAHCAR3POLBALDH1A1MAPT
SCHEMBL9945006 0.67 HCAR3 (0.39) HCAR3MAPT
SCHEMBL9944974 0.67 MAPT (0.47) LMNAPOLBALDH1A1GAAMAPT
SCHEMBL9944775 0.66 TDP1 (0.50) LMNAHCAR3POLBALDH1A1GAA
SCHEMBL9944988 0.66 NPC1 (0.44) HCAR3POLBALDH1A1ERN1GAA
SCHEMBL9944929 0.66 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL9944838 0.66 ALDH1A1 (0.39) LMNAHCAR3POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES LMNA 1817/4885HCAR3 228/4885POLB 2315/4885

“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.