SCHEMBL446611

SCHEMBL446611

CCN(C(=O)n1nnc2ccccc21)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.52
MGAM O43451 6/20 0.52
AMY1A P0DUB6 6/20 0.52
SI P14410 6/20 0.52
MGAM2 Q2M2H8 6/20 0.52
KMT2A Q03164 2/20 0.52
F2 P00734 2/20 0.52
HPGD P15428 1/20 0.52
SLC9A1 P19634 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 2/20 0.49
GLA P06280 1/20 0.49
ASAH1 Q13510 1/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL12116963 0.92 KMT2A (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL12117031 0.91 KMT2A (0.56) GAAMGAMAMY1ASIMGAM2
SCHEMBL11357460 0.87 KCNMA1 (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL11357912 0.84 MGAM (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL12117032 0.83 ALDH1A1 (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL11353826 0.83 MGAM (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL12116959 0.82 GAA (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL12116960 0.82 ASAH1 (0.50) KMT2AALDH1A1HTTMAPTTSHR
SCHEMBL425552 0.81 KMT2A (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL11357689 0.78 MEN1 (0.43) GAAMGAMAMY1ASIMGAM2

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 GAA 184/4885MGAM 1034/4885AMY1A 955/4885

“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.