SCHEMBL6540694

SCHEMBL6540694

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDH1 O75874 2/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
TP53 P04637 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
SCHEMBL27508189 0.80 MAPK1 (0.49) MAPK1KMT2AMEN1LMNAGAA
SCHEMBL6540429 0.78 PGR (0.46) MAPK1KMT2AMEN1GAANPC1
SCHEMBL24378179 0.77 MAPK1 (0.43) MAPK1KMT2AMEN1LMNAGAA
SCHEMBL6541587 0.74 KMT2A (0.51) MAPK1KMT2AMEN1LMNAGAA
SCHEMBL31284560 0.73 TUBB4A (0.66) MAPK1LMNARAB9AALDH1A1NPSR1
SCHEMBL22278392 0.72 CCNB2 (0.46) MAPK1KMT2AMEN1LMNAGAA
SCHEMBL30660985 0.72 CCNB2 (0.46) MAPK1KMT2AMEN1LMNAGAA
SCHEMBL1119436 0.72 KMT2A (0.68) MAPK1KMT2AMEN1LMNAGAA
SCHEMBL31539452 0.72 MAPK1 (0.49) MAPK1KMT2AMEN1LMNAGAA
SCHEMBL9375313 0.70 ALDH1A1 (0.47) MAPK1KMT2AMEN1LMNAGAA

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 5 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

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 MAPK1 3119/4885KMT2A 984/4885MEN1 1372/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 MAPK1 1455/4885KMT2A 2135/4885MEN1 3270/4885

“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.