SCHEMBL299571

SCHEMBL299571

O=C1CSc2cc(Br)ccc2N1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.64
MAOA P21397 9/20 0.64
EPHX2 P34913 1/20 0.64
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
HTT P42858 1/20 0.49
CMA1 P23946 1/20 0.49
AHR P35869 1/20 0.49
KIF11 P52732 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL1332876 0.87 HTT (0.59) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL30199790 0.87 HTT (0.59) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL18307137 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL3599640 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL4219649 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL6015836 0.78 MAOB (1.00) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL279937 0.78 EPHX2 (1.00) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL31469916 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL5751107 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL3599644 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
EP-3790551-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-17 EP disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-9242945-B2 Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2016-01-26 US disclosed
US-9242945-B2 Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2016-01-26 US disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 US disclosed
US-6794373-B2 ADMINISTERING TO A FEMALE OF CHILD BEARING AGE OVER A PERIOD OF 28 CONSECUTIVE DAYS A FIRST PHASE OF FROM 18 TO 21 DAILY DOSAGE UNITS OF A PROGESTATIONAL AGENT, AND A SECOND PHASE OF FROM 1 TO 7 DAILY DOSAGE UNITS OF AN ANTIPROGESTIN AGENT WYETH 2004-09-21 US disclosed
US-20020151531-A1 Contraceptive methods using benzimidazolones LIGAND PHARMACEUTICALS INCORPORATED 2002-10-17 US disclosed
US-20020115853-A1 Benzimidazolones and analogues WYETH 2002-08-22 US disclosed
US-6423699-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-07-23 US disclosed
US-6380235-B1 USEFUL AS PROGESTERONE RECEPTOR AGONISTS AND ANTAGONISTS, USED FOR CONTRACEPTION, IN THERAPY OF FIBROIDS, ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER, AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
EP-1173213-A1 COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173423-A1 BENZIMIDAZOLONES AND ANALOGUES AND THEIR USE AS PROGESTERONE RECEPTOR LIGANDS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066564-A1 BENZIMIDAZOLONES AND ANALOGUES AND THEIR USE AS PROGESTERONE RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066168-A1 COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (5 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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 MAOB 1875/4885MAOA 2171/4885EPHX2 3591/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI MAOB 830/4885MAOA 799/4885EPHX2 233/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 MAOB 917/4885MAOA 799/4885EPHX2 270/4885
US-20020151531-A1 Contraceptive methods using benzimidazolones PGR, GNRHR, NR4A1 MAOB 1637/4885MAOA 1529/4885EPHX2 3634/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 MAOB 2264/4885MAOA 2387/4885EPHX2 3550/4885

“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.