SCHEMBL9944976

SCHEMBL9944976

CNc1cc(N2CC[C@@H](F)C2)c(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 7/20 0.45
MEN1 O00255 5/20 0.45
ALDH1A1 P00352 8/20 0.41
MAPT P10636 7/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.39
POLB P06746 4/20 0.39
GAA P10253 2/20 0.39
XBP1 P17861 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9944978 1.00 L3MBTL1 (0.50) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9945035 0.94 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9944774 0.90 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9944972 0.87 MAPT (0.56) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9944977 0.84 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9944979 0.84 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9944980 0.84 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9944982 0.83 L3MBTL1 (0.55) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9898506 0.81 MAPT (0.49) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9944945 0.80 POLB (0.41) KMT2AMEN1ALDH1A1MAPTMAPK1

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 L3MBTL1 3016/4885KMT2A 3376/4885MEN1 4598/4885

“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.