SCHEMBL30336705

SCHEMBL30336705

COC(=O)Nc1ccc(C)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
RAB9A P51151 9/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
NPC1 O15118 7/20 0.59
MAPT P10636 6/20 0.57
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.50

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
SCHEMBL14400453 1.00 HPGD (0.70) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL1703978 0.85 RAB9A (0.68) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL11642079 0.84 CYP1A2 (0.73) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL31435389 0.83 RAB9A (0.61) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL420721 0.83 RAB9A (0.61) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL1008033 0.83 RAB9A (0.54) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL23997341 0.82 HPGD (0.51) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL18605307 0.82 MAPT (0.54) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL30336857 0.82 HPGD (0.51) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL30336895 0.82 MAPT (0.54) HPGDKMT2AMEN1POLBRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP 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 (2 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 HPGD 831/4885KMT2A 3013/4885MEN1 1034/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 HPGD 831/4885KMT2A 3013/4885MEN1 1034/4885

“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.