SCHEMBL23745893

SCHEMBL23745893

Cc1cccc(C(CC(=O)NC2CCCCC2)c2cn(CC3CCCCC3)c3ccc(Br)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
EPHX2 P34913 1/20 0.45
CNR1 P21554 6/20 0.43
CNR2 P34972 3/20 0.43
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ICMT O60725 1/20 0.40
CCR1 P32246 1/20 0.38
MEN1 O00255 1/20 0.38
TLR4 O00206 1/20 0.38
KRAS P01116 2/20 0.37
ABCC2 Q92887 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL23722118 0.97 IDO1 (0.42) IDO1EPHX2CNR1CNR2KMT2A
SCHEMBL23745695 0.95 IDO1 (0.40) IDO1EPHX2CNR1CNR2KMT2A
SCHEMBL23745455 0.95 IDO1 (0.40) IDO1EPHX2CNR1CNR2KMT2A
Hydrochloric Acid SCHEMBL23722056 0.94 IDO1 (0.40) IDO1EPHX2CNR1CNR2KMT2A
Hydrochloric Acid SCHEMBL23721844 0.94 IDO1 (0.40) IDO1EPHX2CNR1CNR2KMT2A
SCHEMBL23745586 0.94 ICMT (0.41) IDO1EPHX2CNR1CNR2KMT2A
SCHEMBL23745611 0.90 CNR1 (0.37) IDO1EPHX2CNR1CNR2KMT2A
SCHEMBL23722152 0.90 KMT2A (0.46) IDO1CNR1CNR2KMT2ARAB9A
Hydrochloric Acid SCHEMBL23722154 0.90 CNR1 (0.37) IDO1EPHX2CNR1CNR2KMT2A
SCHEMBL23745895 0.89 ICMT (0.49) CNR1CNR2KMT2ARAB9ACYP3A4

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.