SCHEMBL20907252

SCHEMBL20907252

CC1(C)CC2CN(C(=O)CCC#N)CC1N(c1ccc(N3CCS(=O)(=O)CC3)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL22567429 1.00 KDM4E (0.35) KDM4EALDH1A1FAAHJAK2JAK1
SCHEMBL20898311 1.00 KDM4E (0.35) KDM4EALDH1A1FAAHJAK2JAK1
SCHEMBL22555745 0.83 KDM4E (0.44) KDM4EALDH1A1FAAH
SCHEMBL22555823 0.83 KDM4E (0.44) KDM4EALDH1A1FAAH
SCHEMBL24405647 0.83 KDM4E (0.34) KDM4EALDH1A1FAAHCTSLCTSB
SCHEMBL20907347 0.82 KDM4E (0.40) KDM4EALDH1A1FAAH
SCHEMBL20898323 0.82 KDM4E (0.40) KDM4EALDH1A1FAAH
SCHEMBL20898342 0.81 ALDH1A1 (0.32) KDM4EALDH1A1CTSLCTSBCTSS
SCHEMBL22567303 0.81 MEN1 (0.36) ALDH1A1JAK2JAK1
SCHEMBL20907500 0.81 ALDH1A1 (0.32) KDM4EALDH1A1CTSLCTSBCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331922-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-10-22 US disclosed
WO-2019073251-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-04-18 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-20200331922-A1 LYSYL OXIDASE INHIBITORS LOXL1, LOXL2, LOXL3 KDM4E 974/4885ALDH1A1 1199/4885FAAH 623/4885

“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.