SCHEMBL9944774

SCHEMBL9944774

CCNc1cc(N2CC[C@@H](F)C2)c(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 7/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
DCTPP1 Q9H773 1/20 0.40
MAPK1 P28482 2/20 0.39
PDGFRB P09619 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37

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 0.90 L3MBTL1 (0.50) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9944976 0.90 L3MBTL1 (0.50) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9947024 0.88 PTGES (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9944763 0.85 ALDH1A1 (0.40) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9945035 0.84 L3MBTL1 (0.54) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9944883 0.81 POLB (0.39) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9945017 0.80 KMT2A (0.51) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9899286 0.79 PTGES (0.46) KMT2AMEN1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL9899289 0.79 PTGES (0.46) KMT2AMEN1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL9945021 0.78 KMT2A (0.49) L3MBTL1MAPTKMT2AMEN1ALDH1A1

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 3016/4885MAPT 4336/4885KMT2A 3376/4885

“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.