SCHEMBL425709

SCHEMBL425709

COc1cc(-c2cn(C(=O)N3COCC3(C)C)cn2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB1 P08183 4/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
APP P05067 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
TP53 P04637 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL427475 0.89 CNR2 (0.38) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL427043 0.83 FYN (0.39) APP
SCHEMBL427176 0.82 CACNA1H (0.37) KDM4EALDH1A1LMNA
SCHEMBL427563 0.82 ALDH1A1 (0.40) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL426001 0.82 CNR2 (0.37) ALDH1A1LMNA
SCHEMBL425743 0.81 FAAH (0.43) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL427620 0.79 KDM4E (0.38) KDM4EALDH1A1HSD17B10USP2LMNA
SCHEMBL427485 0.79 FAAH (0.38) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL427956 0.78 TP53 (0.39) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL427535 0.78 CNR2 (0.35) KDM4ETSHRALDH1A1HSD17B10HPGD

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 3 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
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 1982/4885TSHR 2673/4885ALDH1A1 294/4885

“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.