SCHEMBL2778375

SCHEMBL2778375

CC(=O)Nc1ccc(-c2c[nH]c(=O)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
KDM4E B2RXH2 6/20 0.51
MAPT P10636 6/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
GAA P10253 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
PRNP P04156 1/20 0.51
POLB P06746 1/20 0.51
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL7397793 0.86 ALDH1A1 (0.44) XDHKMT2AALDH1A1POLB
SCHEMBL7398696 0.85 DYRK1B (0.47) XDHMAPTALDH1A1GAACLK1
SCHEMBL7392189 0.85 CNR1 (0.51) XDHKMT2AMEN1KDM4EGAA
SCHEMBL7368321 0.85 NPC1 (0.50) SMN1; SMN2KMT2AMEN1KDM4EMAPT
SCHEMBL7365549 0.85 TSHR (0.45) KDM4ECA12CA1CA2TSHR
SCHEMBL7403582 0.85 RAB9A (0.47) SMN1; SMN2L3MBTL1KMT2AMEN1KDM4E
SCHEMBL7399753 0.85 RAB9A (0.46) SMN1; SMN2HTTKMT2AMEN1KDM4E
SCHEMBL7396486 0.83 ROCK2 (0.58) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL7399852 0.82 KIT (0.46) MAPK1
SCHEMBL7366309 0.82 NPC1 (0.48) XDHSMN1; SMN2HTTL3MBTL1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562602-A2 IMMEDIATE RELEASE TOPICAL PHARMACEUTICAL FORMULATION FOR ENHANCEMENT OF FEMALE SEXUAL DESIRE AND RESPONSIVENESS Vivus, Inc. (US) 2005-08-17 EP claimed
WO-2004037262-A2 IMMEDIATE RELEASE TOPICAL PHARMACEUTICAL FORMULATION FOR ENHANCEMENT OF FEMALE SEXUAL DESIRE AND RESPONSIVENESS VIVUS, INC. (US) 2004-05-06 WO claimed
US-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors VIVUS, INC. 2004-01-22 US claimed
US-5728563-A Cyclic nucleotide phosphodiesterase and a method for production thereof TAISHO PHARMACEUTICAL CO., LTD. (JP) 1998-03-17 US claimed
EP-0682109-A1 CYCLIC NUCLEOTIDASE AND PROCESS FOR PRODUCING THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-11-15 EP claimed
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US claimed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US claimed
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP claimed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
EP-1956906-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS CombinatoRx, Incorporated (US) 2008-08-20 EP disclosed
US-20070225217-A1 Methods, compositions, and kits for the treatment of medical conditions COMBINATORX, INCORPORATED (US) 2007-09-27 US disclosed
WO-2007056457-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2007-05-18 WO disclosed
US-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations VIVUS, INC. 2004-03-04 US disclosed
US-6469016-B1 VAGINAL, VULVAR AND/OR URETHRAL ADMINISTRATION OF A PHARMACEUTICAL FORMULATION CONTAINING A VASOACTIVE AGENT TO INCREASE VAGINAL LUBRICATION VIVUS, INC. 2002-10-22 US disclosed
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
US-4514568-A 5-(4-Nitrophenyl)-2(1H)-pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-04-30 US disclosed
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP 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 (3 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-20070225217-A1 Methods, compositions, and kits for the treatment of medical conditions TNF, PYGM, IL6 XDH 2726/4885SMN1; SMN2 2527/4885HTT 2206/4885
US-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors PDE3A, PDE3B, PDE12 XDH 206/4885SMN1; SMN2 2165/4885HTT 4688/4885
US-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations PDE12, PDE3A, PDE2A XDH 2153/4885SMN1; SMN2 2982/4885HTT 4625/4885

“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.