SCHEMBL20972149

SCHEMBL20972149

O=C(Nc1ccc(F)cc1)C1(c2ccc(Br)c(F)c2)COC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.56
CYP2C9 P11712 3/20 0.52
HDAC1 Q13547 6/20 0.47
HDAC3 O15379 3/20 0.41
NCOR2 Q9Y618 1/20 0.41
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL30636508 1.00 IDO1 (0.56) IDO1CYP2C9HDAC1HDAC3NCOR2
SCHEMBL20898585 0.84 IDO1 (0.61) IDO1CYP2C9HDAC1HDAC3HDAC7
SCHEMBL22203026 0.79 IDO1 (0.61) IDO1CYP2C9HDAC1HDAC3NCOR2
SCHEMBL20972012 0.78 IDO1 (0.50) IDO1CYP2C9HDAC1HDAC3NCOR2
SCHEMBL30636550 0.78 APP (0.43) CYP2C9
SCHEMBL20972237 0.78 APP (0.43) CYP2C9
SCHEMBL20972013 0.78 IDO1 (0.63) IDO1CYP2C9HDAC1HDAC3NCOR2
SCHEMBL20998003 0.76 IDO1 (0.57) IDO1CYP2C9HDAC1
SCHEMBL26075456 0.75 MET (0.53)
SCHEMBL20898571 0.75 IDO1 (0.50) IDO1CYP2C9HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344287-B Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors 默沙东有限责任公司 2023-12-19 CN disclosed
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP disclosed
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP disclosed
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-04 US disclosed
EP-3710444-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-23 EP disclosed
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-09 US disclosed
CN-111344287-A Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors 默沙东公司 2020-06-26 CN disclosed
US-10647705-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2020-05-12 US disclosed
US-20190144433-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US 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 (4 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-10647705-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 1054/4885HDAC1 75/4885
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 1406/4885HDAC1 70/4885
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 1054/4885HDAC1 75/4885
US-20190144433-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 1406/4885HDAC1 70/4885

“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.