SCHEMBL323044

SCHEMBL323044

NC(=O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.48
LMNA P02545 2/20 0.47
MGLL Q99685 1/20 0.47
HDAC4 P56524 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
MAP4K4 O95819 1/20 0.47
HRH3 Q9Y5N1 3/20 0.44
LRRK2 Q5S007 1/20 0.44
SYK P43405 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL29356405 0.89 DGAT1 (0.47) NOTUMKDM4EALDH1A1MAPK1TP53
SCHEMBL16595887 0.86 NOTUM (0.51) NOTUMKDM4EALDH1A1MAPK1TP53
SCHEMBL17303476 0.85 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1TP53
SCHEMBL321724 0.84 LMNA (0.61) NOTUMKDM4EALDH1A1MAPK1TP53
SCHEMBL2161445 0.83 LMNA (0.56) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL31173853 0.83 LMNA (0.56) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL609355 0.82 TP53 (0.68) NOTUMKDM4EALDH1A1MAPK1TP53
SCHEMBL1019716 0.82 NOTUM (0.59) NOTUMKDM4EALDH1A1MAPK1TP53
SCHEMBL1364657 0.81 AOC2 (0.58) NOTUMKDM4EALDH1A1MAPK1TP53
SCHEMBL2401139 0.81 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580404-A2 SULFONAMIDE APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2024050041-A2 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP claimed
EP-2582705-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP claimed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO claimed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-4559902-A2 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE Imago Biosciences Inc. (US) 2025-05-28 EP disclosed
EP-3256218-B1 A KDM1A INHIBITOR AND ITS USE IN THERAPY IMAGO BIOSCIENCES INC (US) 2024-12-11 EP disclosed
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 US disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
CN-1674892-A Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-09-28 CN disclosed
EP-0022078-B1 PYRAZOLO-QUINOLINES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1984-07-25 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS NOTUM 3385/4885KDM4E 3580/4885ALDH1A1 614/4885
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS APEH, ARSA, DNPEP NOTUM 81/4885KDM4E 1929/4885ALDH1A1 1085/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L NOTUM 4849/4885KDM4E 2745/4885ALDH1A1 1737/4885

“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.