SCHEMBL30948088

SCHEMBL30948088

O=C1C(=O)N(C23CC(F)(C2)C3)CCN1Cc1cc(-c2ccccn2)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.40
SCD5 Q86SK9 7/20 0.36
SCD O00767 4/20 0.35
CXCR1 P25024 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
P2RX7 Q99572 2/20 0.33
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
AR P10275 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 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
SCHEMBL30948194 0.84 CA12 (0.47) IL4I1P2RX7MAPTARHTT
SCHEMBL30948260 0.82 IL4I1 (0.46) IL4I1DDB1CRBNP2RX7GRM4
SCHEMBL30948035 0.81 IL4I1 (0.40) IL4I1SCD5SCDNPC1RAB9A
SCHEMBL30948108 0.78 IL4I1 (0.41) IL4I1DDB1CRBNP2RX7GRM4
SCHEMBL30948054 0.76 IL4I1 (0.52) IL4I1SCD5SCDCXCR1ALDH1A1
SCHEMBL27163527 0.76 IL4I1 (0.55) IL4I1SCD5SCDCXCR1
SCHEMBL30948291 0.72 IL4I1 (0.65) IL4I1SCD5SCDALDH1A1NPC1
SCHEMBL30948248 0.71 IL4I1 (0.48) IL4I1MAPTHTTCA12CA9
SCHEMBL30948347 0.70 IL4I1 (0.39) IL4I1DDB1CRBN
SCHEMBL30948008 0.70 IL4I1 (0.46) IL4I1SCD5ALDH1A1NPC1RAB9A

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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 IL4I1 1/4885SCD5 4879/4885SCD 4881/4885

“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.