SCHEMBL6541802

SCHEMBL6541802

Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.57
CYP3A4 P08684 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HDAC2 Q92769 1/20 0.56
GAA P10253 2/20 0.54
THRB P10828 1/20 0.54
PELI1 Q96FA3 2/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.52
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
PKM P14618 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
PGR P06401 1/20 0.48

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
SCHEMBL6738366 0.82 TSHR (0.76) ALOX15GAAALDH1A1TSHRLMNA
SCHEMBL30360587 0.81 ALDH1A1 (0.63) HDAC2GAAALDH1A1TSHRLMNA
SCHEMBL7142305 0.81 ALDH1A1 (0.63) HDAC2GAAALDH1A1TSHRLMNA
SCHEMBL4667734 0.81 ALDH1A1 (0.63) ALOX15PELI1ALDH1A1TSHRLMNA
SCHEMBL2933331 0.81 GAA (0.51) ALOX15HDAC2GAATHRBPELI1
SCHEMBL6649940 0.80 LMNA (0.54) HDAC2GAAALDH1A1TSHRLMNA
3-Nitro-Phenol SCHEMBL17350780 0.80 ALDH1A1 (0.73) ALOX15CYP3A4GAATHRBALDH1A1
SCHEMBL6646630 0.80 ALDH1A1 (0.55) CYP3A4HSD17B10HDAC2GAAALDH1A1
SCHEMBL29835045 0.80 GAA (0.74) ALOX15CYP3A4GAATHRBALDH1A1
SCHEMBL123756 0.80 GAA (0.74) ALOX15CYP3A4GAATHRBALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543159-A 2002-12-17 JP claimed
EP-1173213-A1 COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS American Home Products Corporation (US) 2002-01-23 EP claimed
WO-2000066168-A1 COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
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-1173423-A1 BENZIMIDAZOLONES AND ANALOGUES AND THEIR USE AS PROGESTERONE RECEPTOR LIGANDS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173213-A1 COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066564-A1 BENZIMIDAZOLONES AND ANALOGUES AND THEIR USE AS PROGESTERONE RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO 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 ALOX15 2286/4885CYP3A4 198/4885HSD17B10 1405/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 ALOX15 3601/4885CYP3A4 132/4885HSD17B10 797/4885

“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.