SCHEMBL447802

SCHEMBL447802

Cc1cc2nnn(C(=O)N(C)c3ccccc3)c2cc1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.63
MGAM O43451 10/20 0.63
AMY1A P0DUB6 10/20 0.63
SI P14410 10/20 0.63
MGAM2 Q2M2H8 10/20 0.63
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ACHE P22303 2/20 0.41
LIPE Q05469 2/20 0.41
KCNMA1 Q12791 1/20 0.40
POLB P06746 1/20 0.39
F2 P00734 2/20 0.39
HPGD P15428 1/20 0.38
SLC9A1 P19634 1/20 0.38

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
SCHEMBL11357912 0.83 MGAM (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL425552 0.83 KMT2A (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL427449 0.82 GLA (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL427465 0.82 KCNMA1 (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL7906221 0.82 SMN1; SMN2 (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL445611 0.82 GAA (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL7899312 0.77 KMT2A (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL427308 0.76 KMT2A (0.70) GAAMGAMAMY1ASIMGAM2
SCHEMBL10428645 0.76 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL425440 0.73 F12 (0.60) 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.