SCHEMBL4192036

SCHEMBL4192036

COc1c(-c2ccc([Se]C)cc2)cnn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 13/20 0.50
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MCHR1 Q99705 8/20 0.47
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43
ABHD16A O95870 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4199697 0.84 PTGS2 (0.50) NPBWR1ALDH1A1NPSR1L3MBTL1NPC1
SCHEMBL4184686 0.83 NPBWR1 (0.50) NPBWR1ALDH1A1NPSR1L3MBTL1MCHR1
SCHEMBL4179604 0.82 PTGS2 (0.55) NPBWR1ALDH1A1NPSR1L3MBTL1
SCHEMBL4194402 0.77 NPBWR1 (0.47) NPBWR1ALDH1A1NPSR1L3MBTL1MCHR1
SCHEMBL18532418 0.75 KMT2A (0.41) NPBWR1ALDH1A1NPSR1L3MBTL1KMT2A
SCHEMBL4191081 0.74 ALDH1A1 (0.66) NPBWR1ALDH1A1NPSR1L3MBTL1MCHR1
SCHEMBL15577363 0.72 HRH3 (0.53) ALDH1A1NPSR1L3MBTL1KMT2ANPC1
SCHEMBL4184539 0.71 MCHR1 (0.42) NPBWR1ALDH1A1NPSR1L3MBTL1MCHR1
SCHEMBL4191114 0.71 PTGS2 (0.67) NPBWR1ALDH1A1NPSR1MCHR1
SCHEMBL4199096 0.71 NPBWR1 (0.42) NPBWR1ALDH1A1NPSR1L3MBTL1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 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 (5 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 2057/4885ALDH1A1 277/4885NPSR1 1603/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 1997/4885ALDH1A1 286/4885NPSR1 1515/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 NPBWR1 2064/4885ALDH1A1 276/4885NPSR1 1395/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 1997/4885ALDH1A1 286/4885NPSR1 1515/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 1997/4885ALDH1A1 286/4885NPSR1 1515/4885

“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.