SCHEMBL3781289

SCHEMBL3781289

O=C(NCCN1CCOCC1)c1c(-c2ccccc2)cnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
CD274 Q9NZQ7 1/20 0.58
KDM5B Q9UGL1 2/20 0.56
LMNA P02545 3/20 0.55
KMT2A Q03164 2/20 0.55
HPGDS O60760 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
MMP12 P39900 1/20 0.52
ACP1 P24666 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
GSK3B P49841 1/20 0.52

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
SCHEMBL17871608 0.75 CD274 (0.62) HPGDCD274KDM5BLMNAKMT2A
SCHEMBL16496406 0.75 HPGDS (0.72) HPGDCD274KDM5BLMNAKMT2A
SCHEMBL9779336 0.74 HPGD (0.59) HPGDCD274KDM5BLMNAKMT2A
SCHEMBL8167646 0.74 CD274 (1.00) HPGDCD274HPGDSSMN1; SMN2KDM4E
SCHEMBL487964 0.74 CD274 (0.84) HPGDCD274KMT2AHPGDSSMN1; SMN2
SCHEMBL9525651 0.73 SMN1; SMN2 (0.60) HPGDCD274LMNAKMT2AHPGDS
SCHEMBL3787063 0.72 MEN1 (0.46) HPGDLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13312411 0.72 KMT2A (0.53) LMNAKMT2AKDM4EALDH1A1POLB
SCHEMBL16462027 0.72 CD274 (0.76) HPGDCD274KMT2AHPGDSSMN1; SMN2
SCHEMBL16833153 0.72 SMN1; SMN2 (0.65) HPGDCD274LMNAKMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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 (2 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 HPGD 2335/4885CD274 1255/4885KDM5B 2336/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 HPGD 2389/4885CD274 1279/4885KDM5B 2306/4885

“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.