SCHEMBL22150633

SCHEMBL22150633

C=CC(=O)NCCCCNC(=O)c1ccc(CN)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ KDM4C Q9H3R0 1/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ZDHHC20 Q5W0Z9 1/20 0.40
▸ ZDHHC2 Q9UIJ5 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL23810206 0.81 KDM4E (0.41) KDM4EKDM4CNPC1RAB9AZDHHC20
SCHEMBL22150190 0.78 SMN1; SMN2 (0.41) ZDHHC20ZDHHC2HDAC1
SCHEMBL22149742 0.77 HDAC3 (0.42) ZDHHC20ZDHHC2TGM2HDAC1
SCHEMBL25070736 0.77 KDM4E (0.43) KDM4EKDM4CNPC1RAB9AEPHX2
SCHEMBL28948985 0.77 HPGDS (0.59) KDM4ETGM2EPHX2HDAC1
SCHEMBL23810139 0.77 SMN1; SMN2 (0.42) KDM4EZDHHC20ZDHHC2TGM2HDAC1
SCHEMBL30153375 0.77 HPGDS (0.59) KDM4ETGM2EPHX2HDAC1
SCHEMBL18022784 0.74 KDM4E (0.50) KDM4EKDM4CEPHX2
SCHEMBL30153214 0.74 HPGDS (0.59) KDM4EKDM4CRAB9AEPHX2ALOX15
SCHEMBL28948987 0.74 HPGDS (0.59) KDM4EKDM4CRAB9AEPHX2ALOX15

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-20210284609-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-09-16 — — US disclosed
WO-2020126598-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS ILLUMINA CAMBRIDGE LIMITED (GB) 2020-06-25 — — 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-20210284609-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS POLL, PCNA, DNMT3A KDM4E 3663/4885KDM4C 1062/4885NPC1 4679/4885

“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.

Send feedback