SCHEMBL23745636

SCHEMBL23745636

Cc1cccc(C(CCNC2CCNCC2)c2cn(CC3CCCCC3)c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.48
CNR1 P21554 5/20 0.38
MPO P05164 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
MAPT P10636 3/20 0.34
ABCC2 Q92887 1/20 0.33
PADI4 Q9UM07 1/20 0.33
ICMT O60725 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
TPSAB1 Q15661 1/20 0.32

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 SCHEMBL23722065 0.99 SOS1 (0.47) SOS1CNR1MPOPDE4APDE4B
SCHEMBL23745514 0.96 SOS1 (0.48) SOS1CNR1MPOMAPTICMT
SCHEMBL23745733 0.94 CNR1 (0.41) SOS1CNR1MPOPDE4APDE4B
Hydrochloric Acid SCHEMBL23722160 0.93 CNR1 (0.40) SOS1CNR1MPOPDE4APDE4B
SCHEMBL23745598 0.92 SOS1 (0.44) SOS1CNR1
Hydrochloric Acid SCHEMBL23722114 0.91 SOS1 (0.44) SOS1CNR1
SCHEMBL23745799 0.90 SOS1 (0.43) SOS1CNR1MPOABCC2ICMT
SCHEMBL23745812 0.90 SOS1 (0.42) SOS1MPOMAPTICMT
SCHEMBL23745852 0.90 CNR1 (0.38) SOS1CNR1MPOPDE4APDE4B
SCHEMBL23745691 0.90 CNR1 (0.38) SOS1CNR1MPOPDE4APDE4B

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 2902/4885CNR1 1651/4885MPO 17/4885

“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.