SCHEMBL19926527

SCHEMBL19926527

N#CCCc1ccc(F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.42
SLC6A4 P31645 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CHEK1 O14757 2/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
NAAA Q02083 1/20 0.32
P2RX7 Q99572 2/20 0.32
CDK2 P24941 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL31248059 0.85 MPO (0.42) MPOSLC6A4MEN1KMT2AALDH1A1
SCHEMBL4717377 0.81 IDO1 (0.46) MPOSLC6A4MEN1KMT2AFFAR1
SCHEMBL160087 0.81 CSNK2A1 (0.40) MPOSLC6A4KMT2AALDH1A1MAPT
SCHEMBL4718190 0.77 MPO (0.44) MPOSLC6A4MEN1KMT2AFFAR1
SCHEMBL14543571 0.76 MPO (0.41) MPOSLC6A4MEN1KMT2AFFAR1
SCHEMBL27973320 0.76 PKM (0.37) MEN1KMT2AALDH1A1MAPTFFAR1
SCHEMBL4715833 0.75 IDO1 (0.51) MPOSLC6A4MEN1KMT2AIDO1
SCHEMBL27558957 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL17713426 0.75 NAAA (0.36) MPOSLC6A4ALDH1A1MAPTHTT
SCHEMBL17006085 0.75 PKM (0.36) MEN1KMT2AALDH1A1MAPTPKM

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600299-B1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-11-30 EP disclosed
EP-3504185-B1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME (US) 2021-11-24 EP disclosed
EP-3504185-B1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME (US) 2021-11-24 EP disclosed
EP-3585774-B1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
EP-3585774-B1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-11034661-B2 Substituted N′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-15 US disclosed
US-11034661-B2 Substituted N′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-15 US disclosed
US-10988487-B2 Substituted n′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-27 US disclosed
US-10988487-B2 Substituted n′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-27 US disclosed
US-10927086-B2 Substituted sulfoximine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-02-23 US disclosed
US-20200231606-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-23 US disclosed
US-20200102278-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE IDO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-04-02 US disclosed
US-20200095212-A1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-03-26 US disclosed
US-20200095212-A1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-03-26 US disclosed
EP-3600299-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-02-05 EP disclosed
EP-3504185-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-07-03 EP disclosed
WO-2018183097-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-10-04 WO disclosed
WO-2018156443-A1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 WO disclosed
WO-2018044663-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-08 WO disclosed
WO-2018044663-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-08 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 (6 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-20200095212-A1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU MPO 110/4885SLC6A4 111/4885MEN1 2298/4885
US-10927086-B2 Substituted sulfoximine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU MPO 105/4885SLC6A4 128/4885MEN1 2088/4885
US-10988487-B2 Substituted n′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT MPO 153/4885SLC6A4 283/4885MEN1 1763/4885
US-20200231606-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, INMT MPO 143/4885SLC6A4 304/4885MEN1 2300/4885
US-20200102278-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE IDO INHIBITORS IDO1, IDO2, INMT MPO 269/4885SLC6A4 341/4885MEN1 2188/4885
US-11034661-B2 Substituted N′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors IDO1, IDO2, INMT MPO 201/4885SLC6A4 333/4885MEN1 1775/4885

“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.