SCHEMBL23745835

SCHEMBL23745835

NCCCNCCC(c1cccnc1)c1cn(C2CCCCC2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MPO P05164 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
AKT1 P31749 2/20 0.33
SLC1A2 P43004 2/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKCG P05129 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT2 P31751 1/20 0.33
RPS6KA3 P51812 1/20 0.33
LIMK1 P53667 1/20 0.33
PRKCD Q05655 1/20 0.33

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
Hydrochloric Acid SCHEMBL23722121 0.99 KDM4E (0.35) KDM4EMEN1KMT2AALDH1A1MPO
SCHEMBL23745689 0.91 KDM4E (0.40) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23745773 0.90 KDM4E (0.37) KDM4EMEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL23722027 0.90 KDM4E (0.39) KDM4EMEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL23722186 0.89 KDM4E (0.36) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23745716 0.86 CNR1 (0.38) MPOAKT1ROCK2MAP4K4PRKCG
Hydrochloric Acid SCHEMBL23722189 0.85 CNR1 (0.38) MPOAKT1ROCK2MAP4K4PRKCG
SCHEMBL23745729 0.84 KDM4E (0.35) KDM4EMEN1KMT2AALDH1A1OPRM1
SCHEMBL23745720 0.84 KDM4E (0.35) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23745622 0.84 KDM4E (0.36) KDM4EMEN1KMT2AOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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 (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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 KDM4E 4474/4885MEN1 894/4885KMT2A 4684/4885

“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.