SCHEMBL23745455

SCHEMBL23745455

Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCCC3)c3ccc(Br)cc23)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
EPHX2 P34913 1/20 0.40
CNR1 P21554 6/20 0.39
CNR2 P34972 2/20 0.39
ICMT O60725 1/20 0.38
KMT2A Q03164 1/20 0.37
ABCC2 Q92887 1/20 0.36
CCR1 P32246 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KRAS P01116 5/20 0.35
TLR4 O00206 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 SCHEMBL23722056 0.99 IDO1 (0.40) IDO1EPHX2CNR1CNR2ICMT
SCHEMBL23745893 0.95 IDO1 (0.45) IDO1EPHX2CNR1CNR2ICMT
SCHEMBL23722118 0.93 IDO1 (0.42) IDO1EPHX2CNR1CNR2ICMT
SCHEMBL23745585 0.93 CNR2 (0.46) IDO1EPHX2CNR1CNR2ICMT
Hydrochloric Acid SCHEMBL23721976 0.92 CNR2 (0.45) IDO1EPHX2CNR1CNR2ICMT
SCHEMBL23745611 0.91 CNR1 (0.37) IDO1EPHX2CNR1CNR2ICMT
SCHEMBL23745552 0.91 IL1B (0.39) IDO1EPHX2CNR1CNR2ICMT
SCHEMBL23745682 0.91 CNR1 (0.38) CNR1ICMTKMT2ACCR1CYP3A4
SCHEMBL23745695 0.91 IDO1 (0.40) IDO1EPHX2CNR1CNR2ICMT
SCHEMBL23745464 0.91 CNR1 (0.41) CNR1CNR2ICMTKMT2ACCR1

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 IDO1 1282/4885EPHX2 627/4885CNR1 1651/4885

“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.