SCHEMBL4483513

SCHEMBL4483513

CCc1ccc(N2CCC(F)(F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
REV1 Q9UBZ9 3/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL19245045 0.89 KDM4E (0.46) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL23254619 0.81 CHKA (0.51) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL20346738 0.81 LOXL2 (0.39) KDM4EALDH1A1MAPTGAAHTT
SCHEMBL16088370 0.80 KDM4E (0.44) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL12082315 0.79 ADRB1 (0.53) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL2056142 0.78 KDM4E (0.57) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL24715763 0.78 KDM4E (0.57) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL12826299 0.77 MAPT (0.64) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL18618234 0.76 CHKA (0.56) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL300433 0.76 CHKA (0.56) KDM4ENPC1RAB9AALDH1A1MAPT

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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 US disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (3 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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL KDM4E 1729/4885NPC1 4142/4885RAB9A 2583/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KDM4E 1791/4885NPC1 949/4885RAB9A 2487/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP KDM4E 1200/4885NPC1 2188/4885RAB9A 2061/4885

“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.