SCHEMBL6541698

SCHEMBL6541698

O=C(O)C1CCCN1c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SERPINE1 P05121 3/20 0.46
MAPK1 P28482 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
FTO Q9C0B1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL31693952 1.00 MAPT (0.56) MAPTSMN1; SMN2SERPINE1MAPK1PKM
SCHEMBL7978483 0.81 SMN1; SMN2 (0.68) MAPTSMN1; SMN2SERPINE1ALDH1A1LMNA
SCHEMBL7981185 0.81 SMN1; SMN2 (0.68) MAPTSMN1; SMN2SERPINE1ALDH1A1LMNA
SCHEMBL10452284 0.81 MAPT (0.57) MAPTSMN1; SMN2SERPINE1TDP1ALDH1A1
SCHEMBL10452286 0.81 MAPT (0.57) MAPTSMN1; SMN2SERPINE1TDP1ALDH1A1
SCHEMBL16796890 0.80 AR (0.46) MAPTSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL31694062 0.78 MAPT (0.36) MAPTSMN1; SMN2SERPINE1MAPK1PKM
SCHEMBL2064392 0.78 TDP1 (0.63) MAPTSMN1; SMN2SERPINE1TDP1ALDH1A1
SCHEMBL27692447 0.78 TDP1 (0.63) MAPTSMN1; SMN2SERPINE1TDP1ALDH1A1
SCHEMBL8140544 0.77 CCR1 (0.47) MAPTSMN1; SMN2SERPINE1ALDH1A1

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
CN-1201820-C Compositions containing benzimidazolones and progestogens WYETH CORP (US) 2005-05-18 CN disclosed
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
CN-1349411-A Compositions containing benzimidazolones and progestogens AMERICAN HOME PROD (US) 2002-05-15 CN 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 MAPT 4875/4885SMN1; SMN2 4622/4885SERPINE1 2964/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 MAPT 4870/4885SMN1; SMN2 4423/4885SERPINE1 3906/4885

“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.