SCHEMBL9944980

SCHEMBL9944980

CNc1cc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 7/20 0.41
KIF18A Q8NI77 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
WDR5 P61964 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL9945035 0.87 L3MBTL1 (0.54) L3MBTL1POLBNPC1MAPTKMT2A
SCHEMBL9944982 0.86 L3MBTL1 (0.55) L3MBTL1POLBNPC1MAPTKMT2A
SCHEMBL9944981 0.84 KIF18A (0.45) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL9944978 0.84 L3MBTL1 (0.50) L3MBTL1POLBMAPTKMT2AMEN1
SCHEMBL9944976 0.84 L3MBTL1 (0.50) L3MBTL1POLBMAPTKMT2AMEN1
SCHEMBL9944857 0.81 PTGES (0.48) L3MBTL1NPC1MAPTKMT2AMEN1
SCHEMBL9944972 0.80 MAPT (0.56) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9944868 0.79 ALDH1A1 (0.47) POLBNPC1MAPTKMT2AMEN1
SCHEMBL26151049 0.78 KIF18A (0.54) KIF18A
SCHEMBL9944971 0.76 NPC1 (0.52) POLBNPC1MAPTKMT2AMEN1

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 3016/4885POLB 2315/4885NPC1 1695/4885

“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.