SCHEMBL23534334

SCHEMBL23534334

O=Cc1c(F)cc(Cl)cc1I

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL1349783 0.84 ERN1 (0.41) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL6060504 0.78 ERN1 (0.42) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL16258877 0.75 ERN1 (0.34) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL9947770 0.75 ERN1 (0.46) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL21803292 0.75 ERN1 (0.34) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL23890741 0.75 ERN1 (0.31) ERN1
SCHEMBL11179328 0.75 ERN1 (0.43) ERN1ALDH1A1TDP1
SCHEMBL6061080 0.73 ERN1 (0.38) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL7271102 0.72 KIF11 (0.39) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL15273920 0.71 MEN1 (0.37) ERN1MEN1ALDH1A1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076443-B1 SUBSTITUTED 1,3,8-TRIAZASPIRO[4,5]DECANE-2,4-DIONE COMPOUND AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-09-10 — — EP disclosed
US-20220396577-A1 NOVEL SUBSTITUTED 1,3-8-TRIAZASPIRO[4,5] DECANE-2,4-DIONE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-12-15 — — US disclosed
US-20220396577-A1 NOVEL SUBSTITUTED 1,3-8-TRIAZASPIRO[4,5] DECANE-2,4-DIONE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-12-15 — — US disclosed
EP-4076443-A1 NOVEL SUBSTITUTED 1,3,8-TRIAZASPIRO[4,5]DECANE-2,4-DIONE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TDO) INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 — — EP disclosed
WO-2021126725-A1 NOVEL SUBSTITUTED 1,3,8-TRIAZASPIRO[4,5]DECANE-2,4-DIONE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
WO-2021126725-A1 NOVEL SUBSTITUTED 1,3,8-TRIAZASPIRO[4,5]DECANE-2,4-DIONE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — 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-20220396577-A1 NOVEL SUBSTITUTED 1,3-8-TRIAZASPIRO[4,5] DECANE-2,4-DIONE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TDO) INHIBITORS IDO1, IDO2, TDO2 ERN1 4625/4885MEN1 3449/4885ALDH1A1 435/4885

“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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