SCHEMBL9944973

SCHEMBL9944973

CNc1cc(N2CCCC(C)C2)c(C(=O)Nc2ccc(C)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 7/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 4/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCL1 Q07820 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 0.86 L3MBTL1 (0.41) GAAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL9944977 0.86 L3MBTL1 (0.41) GAAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL9944972 0.85 MAPT (0.56) GAAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL9945036 0.84 ALDH1A1 (0.46) GAAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL9944983 0.81 ALDH1A1 (0.58) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL9945033 0.80 GAA (0.45) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL9944767 0.80 GAA (0.45) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL9944981 0.79 KIF18A (0.45) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL9946826 0.77 PTGES (0.51) MAPTTP53
SCHEMBL9944763 0.76 ALDH1A1 (0.40) GAAL3MBTL1MAPTALDH1A1KMT2A

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 GAA 1609/4885L3MBTL1 3016/4885MAPT 4336/4885

“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.