SCHEMBL6540439

SCHEMBL6540439

[O-][S+]1CNc2cc(Br)ccc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.34
CMA1 P23946 1/20 0.34
PNMT P11086 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL507922 0.85 TGM2 (0.32) AHRCMA1
Hydrochloric Acid SCHEMBL9449441 0.69 MEN1 (0.31)
SCHEMBL31223930 0.64 TGM2 (0.34) AHRCMA1
SCHEMBL20246188 0.63 PNMT (0.36) AHRPNMTASIC3
SCHEMBL16602487 0.61 AHR (0.41) AHRCMA1PNMTASIC3
SCHEMBL384362 0.61 KDM4E (0.48) AHRCMA1PNMTASIC3
SCHEMBL15373652 0.60 PNMT (0.45) AHRCMA1PNMTASIC3
SCHEMBL29414378 0.57 PNMT (0.57) AHRCMA1PNMTASIC3
SCHEMBL28904944 0.57 AHR (0.37) AHRCMA1PNMTASIC3
SCHEMBL31223925 0.57 TGM2 (0.46) AHRCMA1PNMTASIC3

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-1201820-C Compositions containing benzimidazolones and progestogens WYETH CORP (US) 2005-05-18 CN 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
CN-1152020-C Benzimidazolrone and analogues, and the use as ligand of progesterone �Ʒ� 2004-06-02 CN 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
CN-1349411-A Compositions containing benzimidazolones and progestogens AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
CN-1349511-A Benzimidazolrone and analogues, and the use as ligand of progesterone AMERICAN HOME PROD (US) 2002-05-15 CN 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

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-20020151531-A1 Contraceptive methods using benzimidazolones PGR, GNRHR, NR4A1 AHR 92/4885CMA1 2503/4885PNMT 2394/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 AHR 196/4885CMA1 2173/4885PNMT 3733/4885

“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.