SCHEMBL6004361

SCHEMBL6004361

COc1cccc(C)c1NC(=O)c1cc[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
S1PR2 O95136 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 2/20 0.44
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
KCNK3 O14649 1/20 0.41
POLB P06746 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
TNKS O95271 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
PDE4A P27815 1/20 0.40

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
SCHEMBL13875546 0.76 KMT2A (0.36) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL21870134 0.76 KCNK3 (0.68) ATMKMT2AL3MBTL1MEN1MAPT
SCHEMBL6004222 0.75 TYK2 (0.53) KMT2AMEN1MAPTPOLB
SCHEMBL5480782 0.75 ATM (0.56) ATMS1PR2S1PR4S1PR1S1PR3
SCHEMBL561714 0.74 ALDH1A1 (0.47) S1PR4KMT2AMEN1CYP1A2CYP3A4
SCHEMBL21870513 0.73 ALDH1A1 (0.59) ATMKMT2AMEN1MAPTKCNK3
SCHEMBL30634282 0.73 MEN1 (0.60) S1PR2S1PR4S1PR3KMT2AL3MBTL1
SCHEMBL11101864 0.73 PKM (0.54) ATMS1PR2S1PR4S1PR1S1PR3
SCHEMBL21870191 0.72 MAPT (0.66) MAPTPOLB
SCHEMBL21870539 0.71 TSHR (0.66) KMT2AMEN1MAPTKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 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 (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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B ATM 2821/4885S1PR2 727/4885S1PR4 957/4885

“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.