SCHEMBL426102

SCHEMBL426102

CN(C)C(=O)c1ccc2nnn(C(=O)N3COCC3(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
MGLL Q99685 2/20 0.42
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 8/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 2/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL444875 0.88 HCAR3 (0.40) FAAHMGLLGAAHPGDMGAM
SCHEMBL426089 0.87 NAMPT (0.38) FAAHMGLLKDM4EALDH1A1KMT2A
SCHEMBL425936 0.84 KCNMA1 (0.39) FAAHMGLLKDM4EALDH1A1KMT2A
SCHEMBL427401 0.82 MAPT (0.47) FAAHMGLLKDM4EALDH1A1KMT2A
SCHEMBL427865 0.82 PDE2A (0.39) KDM4EALDH1A1KMT2AMAPTLMNA
SCHEMBL427663 0.82 FAAH (0.36) FAAHMGLLKDM4EALDH1A1KMT2A
SCHEMBL424905 0.81 RAB9A (0.48) FAAHMGLLKDM4EALDH1A1KMT2A
SCHEMBL425919 0.81 HDAC3 (0.43) FAAHMGLLKDM4EKMT2AMAPT
SCHEMBL7899384 0.81 GAA (0.32) FAAHMGLLKDM4EALDH1A1KMT2A
SCHEMBL427873 0.80 FAAH (0.45) FAAHMGLLALDH1A1MAPTSMN1; SMN2

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 FAAH 1/4885MGLL 11/4885KDM4E 1982/4885

“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.