SCHEMBL9944972

SCHEMBL9944972

CNc1cc(N2CCCC(C)C2)c(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 11/20 0.51
LMNA P02545 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CSF1R P07333 1/20 0.45
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9944976 0.87 L3MBTL1 (0.50) MAPTL3MBTL1ALDH1A1LMNAHTT
SCHEMBL9944978 0.87 L3MBTL1 (0.50) MAPTL3MBTL1ALDH1A1LMNAHTT
SCHEMBL9945035 0.85 L3MBTL1 (0.54) MAPTL3MBTL1ALDH1A1LMNATDP1
SCHEMBL9944973 0.85 GAA (0.46) MAPTL3MBTL1ALDH1A1LMNATDP1
SCHEMBL9944982 0.82 L3MBTL1 (0.55) MAPTL3MBTL1ALDH1A1LMNATDP1
SCHEMBL9944769 0.81 MAPT (0.48) MAPTALDH1A1LMNATDP1HTT
SCHEMBL9945032 0.81 MAPT (0.48) MAPTALDH1A1LMNATDP1HTT
SCHEMBL9944980 0.80 L3MBTL1 (0.53) MAPTL3MBTL1ALDH1A1LMNAHTT
SCHEMBL9944774 0.78 L3MBTL1 (0.48) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL9945017 0.77 KMT2A (0.51) MAPTL3MBTL1ALDH1A1LMNATDP1

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 MAPT 4336/4885L3MBTL1 3016/4885ALDH1A1 126/4885

“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.