SCHEMBL6541577

SCHEMBL6541577

CCCCCc1ccc2sc(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.49
GPR84 Q9NQS5 3/20 0.45
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
HTR1A P08908 2/20 0.42
HTR2C P28335 2/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MAPT P10636 1/20 0.40
UNG P13051 3/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KAT8 Q9H7Z6 2/20 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
SCHEMBL175879 0.89 HTR1A (0.51) GPR84PDE3BPDE3AHTR1AHTR2C
SCHEMBL9685780 0.84 HTR1A (0.50) GPR84PDE3BPDE3AHTR1AHTR2C
Hydrochloric Acid SCHEMBL7336602 0.78 CMA1 (0.51) CMA1PDE3BPDE3AHTR1AHTR2C
SCHEMBL9684901 0.78 PDE3B (0.51) CMA1PDE3BPDE3AHTR1AHTR2C
SCHEMBL11539981 0.77 S1PR1 (0.42) HTR1AHTR2CS1PR4S1PR1S1PR5
SCHEMBL11539983 0.77 S1PR1 (0.42) HTR1AHTR2CS1PR4S1PR1S1PR5
SCHEMBL5472243 0.76 CMA1 (0.56) CMA1PDE3BPDE3AHTR1AHTR2C
SCHEMBL7762986 0.74 HTR1A (0.45) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL1824734 0.74 GAA (0.54) GPR84HTR1ACTSVCTSLMAPT
SCHEMBL8114295 0.74 HTR1A (0.48) CMA1PDE3BPDE3AHTR1AHTR2C

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 13 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
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 (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 CMA1 2503/4885GPR84 1085/4885PDE3B 1880/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 CMA1 2173/4885GPR84 484/4885PDE3B 799/4885

“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.