SCHEMBL23745874

SCHEMBL23745874

Cc1cccc(C(CCNCCCN)c2cn(CC3CCNCC3)c3ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.34
CAMK2D Q13557 1/20 0.33
SLC6A4 P31645 1/20 0.33
SOS1 Q07889 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PADI4 Q9UM07 1/20 0.30
CNR1 P21554 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL23721906 0.99 SLC6A4 (0.34) ICMTCAMK2DSLC6A4SOS1HDAC1
SCHEMBL23745823 0.92 CNR1 (0.38) ICMTCAMK2DPADI4CNR1
Hydrochloric Acid SCHEMBL23722097 0.91 CNR1 (0.38) ICMTCAMK2DPADI4CNR1
SCHEMBL23745600 0.89 CNR1 (0.35) ICMTCNR1
Hydrochloric Acid SCHEMBL23722200 0.88 CNR1 (0.34) ICMTCNR1
SCHEMBL23745584 0.86 HTR6 (0.37) CAMK2DSLC6A4SOS1
SCHEMBL23745514 0.86 SOS1 (0.48) ICMTSLC6A4SOS1HDAC1HDAC8
Hydrochloric Acid SCHEMBL23721961 0.86 HTR6 (0.37) CAMK2DSLC6A4SOS1
SCHEMBL23745812 0.84 SOS1 (0.42) ICMTSLC6A4SOS1HDAC1HDAC8
Hydrochloric Acid SCHEMBL23721995 0.84 SOS1 (0.41) ICMTSLC6A4SOS1HDAC1HDAC8

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 ICMT 345/4885CAMK2D 4809/4885SLC6A4 4834/4885

“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.