SCHEMBL425575

SCHEMBL425575

COc1ccc(-c2ncn(C(=O)N3CCOCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
LIPE Q05469 1/20 0.56
USP2 O75604 1/20 0.56
RAB9A P51151 4/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
TP53 P04637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
AKR1C3 P42330 1/20 0.54
FKBP1A P62942 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PTGS2 P35354 1/20 0.51
GAA P10253 1/20 0.49
BLM P54132 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL426880 0.84 SCN9A (0.42) BCHELIPEUSP2RAB9AHPGD
SCHEMBL425576 0.84 LIPE (0.56) BCHELIPERAB9AHPGDALDH1A1
SCHEMBL427298 0.83 TSHR (0.51) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL427033 0.82 MAPK1 (0.60) RAB9AHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL427651 0.82 SCN7A (0.48) BCHELIPERAB9AALDH1A1NPC1
SCHEMBL425711 0.81 AKR1C3 (0.49) NPC1AKR1C3GAAMAPT
SCHEMBL425854 0.77 KMT2A (0.40) BCHELIPEUSP2RAB9AHPGD
SCHEMBL424557 0.74 PARP10 (0.45) RAB9ANPC1HSD17B10POLBKMT2A
SCHEMBL427358 0.73 DGAT1 (0.50) USP2ALDH1A1AKR1C3LMNAMAPT
SCHEMBL30584994 0.72 MAPT (0.70) BCHELIPEALDH1A1NPC1SMN1; 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 7 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-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
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 BCHE 93/4885LIPE 61/4885USP2 517/4885

“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.