SCHEMBL6540445

SCHEMBL6540445

S=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 1.00
APOBEC3G Q9HC16 1/20 0.59
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
CXCR2 P25025 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BRD4 O60885 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6540933 0.86 PGR (1.00) PGRALDH1A1HPGDGAAHTT
SCHEMBL6540983 0.81 PGR (1.00) PGRAPOBEC3GALDH1A1HPGDGAA
SCHEMBL10492810 0.76 APOBEC3G (1.00) PGRAPOBEC3GALDH1A1HPGDHTT
SCHEMBL7561700 0.75 PGR (1.00) PGRALDH1A1HPGDGAAHTT
SCHEMBL29366126 0.71 PGR (0.55) PGRAPOBEC3GALDH1A1MEN1KMT2A
SCHEMBL6540968 0.68 PGR (1.00) PGRALDH1A1HPGDGAAMAPT
SCHEMBL4942907 0.68 HTR6 (0.67) PGRALDH1A1HPGDCXCR2BRD4
SCHEMBL27731247 0.67 PGR (0.51) PGRALDH1A1HPGDGAAHTT
SCHEMBL10531998 0.67 APOBEC3G (0.59) PGRAPOBEC3GALDH1A1GAAHTT
SCHEMBL16394095 0.66 TAAR1 (0.65) PGR

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
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-1173423-A1 BENZIMIDAZOLONES AND ANALOGUES AND THEIR USE AS PROGESTERONE RECEPTOR LIGANDS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173213-A1 COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS 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 PGR 1/4885APOBEC3G 4100/4885ALDH1A1 1307/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 PGR 1/4885APOBEC3G 4695/4885ALDH1A1 1215/4885

“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.