SCHEMBL6540956

SCHEMBL6540956

O=C1Nc2ccc(Br)cc2N2CCCC12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 5/20 0.65
MAPT P10636 5/20 0.65
GAA P10253 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.55
PARP1 P09874 4/20 0.53
MEN1 O00255 3/20 0.52
HPGD P15428 3/20 0.52
CHEK1 O14757 1/20 0.52
MAP2K1 Q02750 1/20 0.52
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR2C P28335 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL31694053 1.00 KMT2A (0.66) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL7981536 0.79 ALDH1A1 (1.00) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL7968278 0.79 ALDH1A1 (1.00) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL10502579 0.79 ALDH1A1 (1.00) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL14754066 0.79 KMT2A (0.61) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL23415987 0.79 KMT2A (0.60) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL18839355 0.78 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL15828684 0.76 KMT2A (0.71) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL19737652 0.76 KMT2A (0.57) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL31694040 0.75 KMT2A (0.41) KMT2AALDH1A1KDM4EMAPTGAA

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 KMT2A 984/4885ALDH1A1 1307/4885KDM4E 919/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 KMT2A 2135/4885ALDH1A1 1215/4885KDM4E 1098/4885

“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.