SCHEMBL425854

SCHEMBL425854

COc1ccc(-c2ncn(C(=O)N3COCC3(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
HSD17B10 Q99714 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 4/20 0.40
TP53 P04637 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
BCHE P06276 1/20 0.37
LIPE Q05469 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL427872 0.86 ALDH1A1 (0.36) KMT2AHSD17B10SMN1; SMN2KDM4EMAPT
SCHEMBL425575 0.77 BCHE (0.56) KMT2AHSD17B10SMN1; SMN2KDM4ETP53
SCHEMBL427034 0.76 HDAC1 (0.38) KMT2AHSD17B10SMN1; SMN2KDM4EUSP2
SCHEMBL427956 0.69 TP53 (0.39) SMN1; SMN2KDM4ETP53MAPTNPC1
SCHEMBL427033 0.67 MAPK1 (0.60) KMT2ASMN1; SMN2KDM4ETP53MEN1
SCHEMBL427475 0.67 CNR2 (0.38) HSD17B10SMN1; SMN2KDM4ETP53MAPT
SCHEMBL460650 0.67 PIK3CA (0.34) KMT2AHSD17B10SMN1; SMN2KDM4ETP53
SCHEMBL13605554 0.66 MEN1 (0.42) KMT2ASMN1; SMN2TP53USP2LMNA
SCHEMBL424347 0.65 LIPE (0.56) KMT2ASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL427521 0.64 ACHE (0.47) KMT2AMAPTMAPK1BCHELIPE

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 KMT2A 2067/4885HSD17B10 268/4885SMN1; SMN2 2818/4885

“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.