SCHEMBL31124036

SCHEMBL31124036

CCOC(=O)c1nnn(C[Si](C)(C)C)c1I

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.44
▸ TP53 P04637 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL15897060 0.73 CYP19A1 (0.54) CYP19A1HPGDKMT2ASMN1; SMN2MAPT
SCHEMBL16701076 0.73 CYP19A1 (0.70) CYP19A1LMNATSHRMAPK1HPGD
SCHEMBL17225764 0.72 CYP19A1 (0.55) CYP19A1TP53ALOX12MAPK1PDE4A
SCHEMBL15815752 0.71 CYP19A1 (0.48) CYP19A1TP53ALOX12LMNATSHR
SCHEMBL1412553 0.67 TP53 (0.56) CYP19A1TP53ALOX12TSHRMAPK1
SCHEMBL20143010 0.67 TP53 (0.56) CYP19A1TP53ALOX12LMNATSHR
SCHEMBL23153541 0.67 CYP19A1 (0.44) CYP19A1TP53ALOX12LMNATSHR
SCHEMBL28916904 0.67 SLC5A1 (0.44) CYP19A1TP53ALOX12LMNATSHR
SCHEMBL23234141 0.66 TP53 (0.51) CYP19A1TP53ALOX12LMNAMAPK1
SCHEMBL14511339 0.66 TSHR (0.49) CYP19A1TP53ALOX12LMNATSHR

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
EP-4688161-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-02-11 — — EP disclosed
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-10 — — US disclosed
WO-2024206357-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-03 — — WO 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-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN CYP19A1 1455/4885TP53 2506/4885ALOX12 828/4885

“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.

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