SCHEMBL6541587

SCHEMBL6541587

CC(C)N1CC(=O)Nc2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
BRD4 O60885 1/20 0.44
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HBB P68871 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
IDH1 O75874 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL3293810 0.83 EPHX2 (0.47) KMT2AMEN1BRD4NPSR1MAPT
SCHEMBL1119436 0.80 KMT2A (0.68) KMT2AMEN1BRD4CMA1AHR
SCHEMBL6541451 0.78 ALDH1A1 (0.36) KMT2AMEN1MAPK1NPSR1MAPT
SCHEMBL27498007 0.78 KMT2A (0.39) KMT2AMEN1BRD4MAPK1NPSR1
SCHEMBL4546575 0.78 ALDH1A1 (0.52) KMT2AMEN1MAPK1NPSR1MAPT
SCHEMBL6541572 0.74 PGR (0.53) CYP11B1CYP11B2
SCHEMBL6540694 0.74 MAPK1 (0.46) KMT2AMEN1BRD4MAPK1NPSR1
SCHEMBL6541666 0.73 PGR (0.58) BRD4CYP11B1CYP11B2
SCHEMBL27508189 0.73 MAPK1 (0.49) KMT2AMEN1BRD4CMA1AHR
SCHEMBL27468692 0.73 ALDH1A1 (0.36) KMT2AMEN1MAPK1NPSR1MAPT

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 7 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-1173213-A1 COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS American Home Products Corporation (US) 2002-01-23 EP 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 KMT2A 984/4885MEN1 1372/4885BRD4 114/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 KMT2A 2135/4885MEN1 3270/4885BRD4 368/4885

“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.