SCHEMBL6541584

SCHEMBL6541584

CCCCCc1ccc2c(c1)NC[S+]2[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2C P28335 1/20 0.37
HSPE1 P61604 1/20 0.37
HIF1A Q16665 1/20 0.37
TST Q16762 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
SCHEMBL9685789 0.84 SKP2 (0.41) SKP2ALDH1A1LMNATP53CYP3A4
SCHEMBL8114298 0.73 HRH1 (0.37) HTR2A
SCHEMBL3370237 0.71 ESR1 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL16722721 0.71 ESR1 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9204489 0.70 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL29242122 0.69 PTGS2 (0.52) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31351356 0.69 PTGS2 (0.52) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27610259 0.68 SMN1; SMN2 (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9684037 0.68 S1PR1 (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL20846119 0.67 SMN1; SMN2 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2

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-1349511-A Benzimidazolrone and analogues, and the use as ligand of progesterone AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
CN-1349411-A Compositions containing benzimidazolones and progestogens 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 SKP2 683/4885ESR1 33/4885ADRA2A 264/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 SKP2 1982/4885ESR1 115/4885ADRA2A 171/4885

“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.