SCHEMBL427620

SCHEMBL427620

COc1ccc(-c2cn(C(=O)N3COCC3(C)C)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
CNR2 P34972 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
SCHEMBL427956 0.88 TP53 (0.39) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL427535 0.87 CNR2 (0.35) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL427475 0.87 CNR2 (0.38) KDM4ESMN1; SMN2MAPTHSD17B10MAPK1
SCHEMBL427118 0.86 DPP4 (0.40) KDM4ESMN1; SMN2LMNAHSD17B10TP53
SCHEMBL425743 0.86 FAAH (0.43) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL427043 0.85 FYN (0.39) GAAMAOA
SCHEMBL426001 0.84 CNR2 (0.37) LMNAHTTALDH1A1CNR2
SCHEMBL427176 0.84 CACNA1H (0.37) KDM4ELMNAALDH1A1CNR2
SCHEMBL427563 0.84 ALDH1A1 (0.40) KDM4ESMN1; SMN2LMNAMAPTMEN1
SCHEMBL424719 0.83 KDM4E (0.44) KDM4ETDP1ALDH1A1

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 5 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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 KDM4E 1982/4885SMN1; SMN2 2818/4885LMNA 2523/4885

“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.