SCHEMBL17629476

SCHEMBL17629476

COC(=O)C1=C(Nc2ccc(Br)cc2)COC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.41
▸ HPGD P15428 2/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1564195 0.85 MAPT (0.47) ACHEHPGDMEN1KMT2AMAPT
SCHEMBL1415795 0.81 ACHE (0.44) ACHEHPGDCASP3AKR1C3AKR1C2
SCHEMBL3778231 0.79 KMT2A (0.41) HPGDCASP3MEN1KMT2AMAPT
SCHEMBL17636740 0.77 MAPT (0.48) ACHEHPGDCASP3AKR1C3AKR1C2
SCHEMBL17040938 0.71 MAPT (0.54) ACHEHPGDMEN1KMT2ATDP1
SCHEMBL25839946 0.71 NPSR1 (0.40) ACHEHPGDKMT2AMAPTSLC6A3
SCHEMBL22983128 0.70 MEN1 (0.43) CASP3MEN1KMT2AMAPTLMNA
SCHEMBL1415828 0.67 TDP1 (0.48) ACHEHPGDCASP3AKR1C3AKR1C2
SCHEMBL12986781 0.67 CASP3 (0.54) HPGDCASP3GAAALDH1A1KDM4E
SCHEMBL1415410 0.66 AKR1C3 (0.45) AKR1C3AKR1C2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197452-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-26 — — EP disclosed
US-10208060-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2019-02-19 — — US disclosed
US-20170313718-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-11-02 — — US disclosed
EP-3197452-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 — — EP disclosed
WO-2016049098-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 — — 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 (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-20170313718-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, EGLN2, EGLN3 ACHE 4880/4885HPGD 91/4885CASP3 4460/4885
US-10208060-B2 Inhibitors of HIF prolyl hydroxylase HIF1AN, EGLN2, EGLN3 ACHE 4880/4885HPGD 91/4885CASP3 4460/4885

“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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