SCHEMBL20972148

SCHEMBL20972148

Nc1ccc(F)c(F)c1NC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.49
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
FFAR2 O15552 3/20 0.42
KDM4E B2RXH2 2/20 0.41
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.37

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
SCHEMBL20898595 0.80 HDAC1 (0.57) IDO1HDAC1FFAR2KDM4EALDH1A1
SCHEMBL20898479 0.78 IDO1 (0.55) IDO1HDAC1HDAC3NCOR2FFAR2
SCHEMBL20898583 0.77 HDAC1 (0.51) IDO1HDAC1FFAR2KDM4EALDH1A1
SCHEMBL29559256 0.77 NPC1 (0.55) IDO1HDAC1FFAR2KDM4EALDH1A1
SCHEMBL22371460 0.77 NPC1 (0.55) IDO1HDAC1FFAR2KDM4EALDH1A1
SCHEMBL20972157 0.76 HDAC1 (0.52) IDO1HDAC1HDAC3FFAR2ALDH1A1
SCHEMBL30636529 0.76 HDAC1 (0.52) IDO1HDAC1HDAC3FFAR2ALDH1A1
SCHEMBL22371427 0.75 HDAC1 (0.47) IDO1HDAC1FFAR2KDM4ENAMPT
SCHEMBL29560384 0.75 HDAC1 (0.47) IDO1HDAC1FFAR2KDM4ENAMPT
SCHEMBL26000650 0.74 HDAC1 (0.48) IDO1HDAC1FFAR2KDM4EALDH1A1

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
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
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-04 US 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
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-09 US 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-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
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 1/4885HDAC1 75/4885HDAC3 138/4885
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885HDAC1 70/4885HDAC3 142/4885
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885HDAC1 75/4885HDAC3 138/4885
US-20190144433-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885HDAC1 70/4885HDAC3 142/4885

“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.