SCHEMBL4176358

SCHEMBL4176358

CCCOc1c(Br)cnn(CC(F)(F)F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 4/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 4/20 0.36
MITF O75030 2/20 0.36
PTGS2 P35354 1/20 0.36
S1PR4 O95977 3/20 0.35
S1PR1 P21453 3/20 0.35
PDE5A O76074 1/20 0.35
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPBWR1 P48145 2/20 0.33
MCHR1 Q99705 1/20 0.33
METAP2 P50579 1/20 0.32
HTT P42858 4/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL4183552 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL4176355 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL4183392 0.76 NPC1 (0.54) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL4191095 0.74 PTGS2 (0.43) PTGS2PDE5ACYP17A1CYP1A2NPBWR1
SCHEMBL4194548 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL30508647 0.69 CYP17A1 (0.40) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL27199398 0.66 PTGS2 (0.34) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL20974033 0.63 KMT2A (0.42) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL4190041 0.63 HTT (0.55) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL22101239 0.62 NPC1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMITF

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 12 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
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 ALDH1A1 277/4885SMN1; SMN2 4601/4885NPC1 4331/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885SMN1; SMN2 4516/4885NPC1 4230/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885SMN1; SMN2 4576/4885NPC1 4280/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885SMN1; SMN2 4516/4885NPC1 4230/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885SMN1; SMN2 4516/4885NPC1 4230/4885

“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.