SCHEMBL20898571

SCHEMBL20898571

Cc1nc(C2(C(=O)Nc3ccc(F)cc3)COC2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.50
CYP2C9 P11712 4/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.40
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL20972094 0.79 IDO1 (0.62) IDO1CYP2C9ALDH1A1HDAC1SMN1; SMN2
SCHEMBL20898700 0.77 RAB9A (0.35) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL20898565 0.76 IDO1 (0.75) IDO1MEN1KMT2A
SCHEMBL30636508 0.75 IDO1 (0.56) IDO1CYP2C9HDAC1
SCHEMBL20972149 0.75 IDO1 (0.56) IDO1CYP2C9HDAC1
SCHEMBL20898585 0.74 IDO1 (0.61) IDO1CYP2C9ALDH1A1HDAC1MEN1
SCHEMBL20972175 0.73 IDO1 (0.55) IDO1CYP2C9HDAC1MEN1KMT2A
SCHEMBL22397483 0.73 IDO1 (0.46) IDO1CYP2C9HDAC1
SCHEMBL20972212 0.71 IDO1 (0.62) IDO1CYP2C9ALDH1A1HDAC1LMNA
SCHEMBL14734056 0.70 BACE1 (0.48) IDO1CYP2C9ALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694506-B1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3694506-B1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
EP-3694506-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
US-20200239423-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-30 US disclosed
WO-2019074748-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2019074748-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 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-20200239423-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 795/4885ALDH1A1 478/4885
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP2C9 603/4885ALDH1A1 589/4885

“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.