SCHEMBL23745637

SCHEMBL23745637

Cc1cccc(C(CCNC2CCNCC2)c2cn(CC3CCCCC3)c3ccc([N+](=O)[O-])cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.41
CNR2 P34972 2/20 0.36
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNG1 Q06432 1/20 0.34
CACNB2 Q08289 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
CACNA1E Q15878 1/20 0.34
CACNA2D4 Q7Z3S7 1/20 0.34

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 SCHEMBL23722051 0.99 SOS1 (0.40) SOS1CNR2CACNB4CACNA1ACACNA1G
SCHEMBL23745544 0.91 CNR2 (0.36) CNR2CACNB4CACNA1ACACNA1GCACNG3
Hydrochloric Acid SCHEMBL23722042 0.90 CNR2 (0.35) CNR2CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL23745799 0.88 SOS1 (0.43) SOS1CNR2CNR1ICMT
SCHEMBL23745636 0.88 SOS1 (0.48) SOS1CNR1MAPTICMT
Hydrochloric Acid SCHEMBL23722188 0.87 SOS1 (0.42) SOS1CNR2CNR1ICMT
Hydrochloric Acid SCHEMBL23722065 0.87 SOS1 (0.47) SOS1CNR1MAPTICMTSLC6A4
SCHEMBL23745540 0.84 CNR2 (0.36) CNR2CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL23745514 0.83 SOS1 (0.48) SOS1CACNA2D1CACNA1BCACNB1POLB
SCHEMBL23722038 0.82 SOS1 (0.41) SOS1CNR2CNR1ICMTMCHR1

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 SOS1 2902/4885CNR2 2528/4885CACNB4 4619/4885

“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.