SCHEMBL6260403

SCHEMBL6260403

CCn1c(C)c(N)c(=O)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
PTGS2 P35354 1/20 0.63
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCB1 P08183 5/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL17035227 0.87 BCHE (0.64) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23400232 0.87 BCHE (0.58) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL9514526 0.87 BCHE (0.63) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23400266 0.84 PTGS2 (0.60) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL9413452 0.84 BCHE (0.59) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL17035229 0.84 BCHE (0.64) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23400437 0.83 BCHE (0.58) BCHEPTGS2POLBLMNAADORA3
SCHEMBL28019528 0.82 BCHE (0.49) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL11651336 0.81 BCHE (0.44) BCHEPTGS2ALDH1A1LMNAKMT2A
SCHEMBL3695114 0.80 BCHE (0.73) BCHEPTGS2POLBALDH1A1ALOX15

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-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
JP-2115132-A None JP disclosed
JP-9323942-A None JP disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
WO-2015125786-A1 AMINOPYRAZOLONE DERIVATIVE 第一三共株式会社 2015-08-27 WO disclosed
WO-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 WO disclosed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP disclosed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP disclosed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed
JP-H09323942-A DIAGNOSTIC FOR LIVER FUNCTION SEITAI KAGAKU KENKYUSHO:KK 1997-12-16 JP disclosed
US-5518891-A SUBSTITUTED ANILINES, HYDRAZONES OR 4-AMINOANTIPYRINES ACTIMED LABORATORIES, INC. (US) 1996-05-21 US disclosed
JP-H02115132-A DIAGNOSTIC AGENT SEITAI KAGAKU KENKYUSHO:KK 1990-04-27 JP 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 (1 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL BCHE 4205/4885PTGS2 3518/4885POLB 1867/4885

“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.