SCHEMBL23745729

SCHEMBL23745729

NCCCNCCC(c1cccc(F)c1)c1cn(C2CCCCC2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR6 P50406 3/20 0.35
OPRM1 P35372 4/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 3/20 0.34
SLC6A2 P23975 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GRM1 Q13255 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 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 SCHEMBL23721978 0.99 KDM4E (0.35) KDM4EALDH1A1POLBNPSR1MEN1
SCHEMBL23745689 0.91 KDM4E (0.40) KDM4EMEN1KMT2AHTR6OPRM1
Hydrochloric Acid SCHEMBL23722027 0.90 KDM4E (0.39) KDM4EMEN1KMT2AHTR6OPRM1
SCHEMBL23722133 0.89 OPRM1 (0.35) KDM4EALDH1A1MEN1KMT2AHTR6
SCHEMBL23745720 0.89 KDM4E (0.35) KDM4EMEN1KMT2AHTR6OPRM1
SCHEMBL23745486 0.89 KRAS (0.38) KDM4EALDH1A1MEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL23722158 0.89 KDM4E (0.35) KDM4EMEN1KMT2AHTR6OPRM1
Hydrochloric Acid SCHEMBL23722052 0.89 OPRM1 (0.36) KDM4EALDH1A1MEN1KMT2AHTR6
SCHEMBL23745765 0.88 OPRM1 (0.36) KDM4EALDH1A1MEN1KMT2AHTR6
Hydrochloric Acid SCHEMBL23721923 0.88 OPRM1 (0.37) KDM4EALDH1A1MEN1KMT2AHTR6

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 4474/4885ALDH1A1 1197/4885POLB 1235/4885

“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.