SCHEMBL1824734

SCHEMBL1824734

CCCCCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
UNG P13051 3/20 0.50
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR84 Q9NQS5 2/20 0.47
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 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
SCHEMBL13015140 0.98 GAA (0.53) GAAPKMUNGGRIN2DGRIN3B
SCHEMBL5393113 0.87 GAA (0.59) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL13303940 0.83 GAA (0.68) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL29133433 0.83 GAA (0.54) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL2056376 0.80 GAA (0.63) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL1826081 0.79 PDE3B (0.62) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL18932519 0.77 GPR84 (0.47) UNGGPR84CTSVCTSLMAPT
SCHEMBL6766396 0.77 GAA (0.51) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6766764 0.77 PKM (0.51) GAAPKMGRIN2DGRIN3BGRIN1
SCHEMBL6768064 0.77 GAA (0.59) GAAPKMGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US disclosed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP disclosed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP 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
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 WO 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 (4 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-20060154977-A1 Therapeutic molecules and methods-1 MIF, IL1B, IL1A GAA 827/4885PKM 1816/4885UNG 3227/4885
US-20020151531-A1 Contraceptive methods using benzimidazolones PGR, GNRHR, NR4A1 GAA 4868/4885PKM 2501/4885UNG 4687/4885
US-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A GAA 827/4885PKM 1816/4885UNG 3227/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 GAA 4626/4885PKM 3926/4885UNG 4528/4885

“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.