SCHEMBL23745486

SCHEMBL23745486

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.38
SOS1 Q07889 4/20 0.38
CCR3 P51677 2/20 0.35
OPRM1 P35372 3/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 3/20 0.34
OPRD1 P41143 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
EPHX1 P07099 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 SCHEMBL23722030 0.99 KRAS (0.37) KRASSOS1CCR3OPRM1OPRK1
SCHEMBL23745729 0.89 KDM4E (0.35) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL23745689 0.88 KDM4E (0.40) OPRM1OPRK1OPRL1KDM4EMEN1
Hydrochloric Acid SCHEMBL23721978 0.88 KDM4E (0.35) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL23721853 0.88 SLC7A5 (0.34) KDM4E
Hydrochloric Acid SCHEMBL23722027 0.87 KDM4E (0.39) OPRM1OPRK1OPRL1KDM4EMEN1
SCHEMBL23722133 0.87 OPRM1 (0.35) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL23745720 0.87 KDM4E (0.35) CCR3OPRM1OPRK1OPRL1OPRD1
Hydrochloric Acid SCHEMBL23722052 0.86 OPRM1 (0.36) OPRM1OPRK1OPRL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL23722158 0.86 KDM4E (0.35) CCR3OPRM1OPRK1OPRL1OPRD1

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 KRAS 2258/4885SOS1 2902/4885CCR3 683/4885

“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.