SCHEMBL6540849

SCHEMBL6540849

CCCCN1CC(=O)Nc2ccc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
BRD4 O60885 1/20 0.43
CNR1 P21554 2/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
EPHX2 P34913 1/20 0.39
DRD3 P35462 1/20 0.39
MAPK1 P28482 1/20 0.38
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRHR1 P34998 4/20 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
SCHEMBL1119436 0.78 KMT2A (0.68) KMT2AMEN1BRD4TP53MAPT
SCHEMBL6540315 0.77 PGR (0.49)
SCHEMBL7044848 0.76 EPHX2 (0.58) KMT2AMEN1MAPTEPHX2
SCHEMBL6541718 0.76 EPHX2 (0.70) KMT2AMEN1BRD4MAPTEPHX2
SCHEMBL22278578 0.72 KMT2A (0.46) KMT2AMEN1BRD4MAPTEPHX2
SCHEMBL27481747 0.72 ALDH1A1 (0.34) KMT2AMEN1BRD4CNR1TP53
SCHEMBL6541587 0.71 KMT2A (0.51) KMT2AMEN1BRD4TP53MAPT
SCHEMBL22278617 0.71 KMT2A (0.45) KMT2AMEN1BRD4MAPTEPHX2
SCHEMBL21037372 0.71 EPHX2 (0.63) KMT2AMEN1MAPTEPHX2MAPK1
SCHEMBL194067 0.70 CRBN (0.46) KMT2AMEN1TP53MAPT

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.