SCHEMBL426112

SCHEMBL426112

CC(C)(C)NC(=O)c1ccc2c(c1)nnn2C(=O)N1COCC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 1/20 0.39
RAB9A P51151 4/20 0.38
HCAR3 P49019 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
FLT4 P35916 1/20 0.35

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
SCHEMBL427401 0.92 MAPT (0.47) MAPTPOLBHPGDRAB9AMEN1
SCHEMBL424832 0.89 HPGD (0.41) MAPTPOLBHPGDRAB9AHCAR3
SCHEMBL424826 0.85 HCAR3 (0.49) HPGDHCAR3
SCHEMBL428178 0.84 RAB9A (0.56) MAPTPOLBHPGDRAB9AMEN1
SCHEMBL427200 0.84 NAMPT (0.45) MAPTHPGDHCAR3KMT2AALDH1A1
SCHEMBL426119 0.83 HPGD (0.51) MAPTPOLBHPGDRAB9AALDH1A1
SCHEMBL427885 0.82 ADORA3 (0.45) MAPTPOLBHPGDRAB9AMEN1
SCHEMBL7898107 0.81 KCNMA1 (0.43) MAPTPOLBHPGDHCAR3ALDH1A1
SCHEMBL427274 0.80 RAB9A (0.40) MAPTRAB9AHCAR3MEN1KMT2A
SCHEMBL427962 0.80 KCNMA1 (0.48) RAB9AMEN1KMT2AKDM4ENPC1

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 4 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-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
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 MAPT 1705/4885POLB 2792/4885HPGD 247/4885

“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.