SCHEMBL425878

SCHEMBL425878

COc1cccc(-c2cccc(-c3cn(C(=O)N4COCC4(C)C)cn3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PLK1 P53350 1/20 0.38
KCNH2 Q12809 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
IKBKB O14920 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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 0.98 TP53 (0.39) BACE1TP53MAPTGAAPLK1
SCHEMBL427485 0.89 FAAH (0.38) GAARAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL427620 0.86 KDM4E (0.38) TP53MAPTGAANPC1RAB9A
SCHEMBL427770 0.85 FYN (0.38) BACE1DHODH
SCHEMBL427643 0.84 HSD17B1 (0.37) TP53GAANPC1RAB9AALDH1A1
SCHEMBL7898244 0.84 KMO (0.38) TP53MAPTGAANPC1RAB9A
SCHEMBL425743 0.84 FAAH (0.43) GAARAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL427475 0.82 CNR2 (0.38) TP53MAPTADORA3NPC1RAB9A
SCHEMBL426083 0.82 KDM4E (0.47) BACE1TP53ADORA1NPC1RAB9A
SCHEMBL427975 0.82 CYP11B1 (0.37) BACE1KCNH2

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 BACE1 480/4885TP53 4604/4885MAPT 1705/4885

“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.