SCHEMBL9944977

SCHEMBL9944977

CNc1cc(N2CC[C@@H](F)C2)c(C(=O)Nc2ccc(C)cc2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
XBP1 P17861 1/20 0.39
ITGA4 P13612 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 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
SCHEMBL9944979 1.00 L3MBTL1 (0.41) L3MBTL1GAAALDH1A1KMT2APOLB
SCHEMBL9945036 0.94 ALDH1A1 (0.46) L3MBTL1GAAALDH1A1KMT2APOLB
SCHEMBL9944763 0.89 ALDH1A1 (0.40) L3MBTL1GAAALDH1A1KMT2APOLB
SCHEMBL9946757 0.87 PTGES (0.49) MAPT
SCHEMBL9946848 0.87 PTGES (0.49) MAPT
SCHEMBL9944973 0.86 GAA (0.46) L3MBTL1GAAALDH1A1KMT2APOLB
SCHEMBL9944978 0.84 L3MBTL1 (0.50) L3MBTL1GAAALDH1A1KMT2APOLB
SCHEMBL9944976 0.84 L3MBTL1 (0.50) L3MBTL1GAAALDH1A1KMT2APOLB
SCHEMBL9944981 0.82 KIF18A (0.45) L3MBTL1GAAALDH1A1KMT2APOLB
SCHEMBL9944983 0.82 ALDH1A1 (0.58) L3MBTL1ALDH1A1KMT2APOLBMEN1

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 3016/4885GAA 1609/4885ALDH1A1 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.