SCHEMBL4196334

SCHEMBL4196334

O=c1c(Br)c(Br)cnn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.60
RAB9A P51151 8/20 0.60
ALDH1A1 P00352 8/20 0.60
NPC1 O15118 7/20 0.60
HTT P42858 6/20 0.60
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 4/20 0.60
XBP1 P17861 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
PAX8 Q06710 5/20 0.59
LMNA P02545 3/20 0.59
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
NPBWR1 P48145 3/20 0.42
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4184776 0.87 ALDH1A1 (0.56) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL10767325 0.85 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL10768990 0.85 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL4675793 0.82 RAB9A (0.71) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL4191587 0.81 NPC1 (0.69) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL1751460 0.80 RAB9A (0.62) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL10332513 0.79 RAB9A (0.65) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL4191812 0.78 RAB9A (0.60) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL1750412 0.77 MAPT (0.50) SMN1; SMN2RAB9AALDH1A1NPC1HTT
SCHEMBL11582931 0.76 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AALDH1A1NPC1HTT

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 13 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
EP-0210647-B1 PYRIDAZINONE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND INSECTICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-10-28 EP disclosed
US-4910201-A With an ether substituted in position 5 NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-20 US disclosed
EP-0227941-A1 1-Phenyl-4-(1H)-pyridazinimines, their preparation and use BASF Aktiengesellschaft (DE) 1987-07-08 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 (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 SMN1; SMN2 4601/4885RAB9A 4436/4885ALDH1A1 277/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SMN1; SMN2 4516/4885RAB9A 4413/4885ALDH1A1 286/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 SMN1; SMN2 4576/4885RAB9A 4374/4885ALDH1A1 276/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SMN1; SMN2 4516/4885RAB9A 4413/4885ALDH1A1 286/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SMN1; SMN2 4516/4885RAB9A 4413/4885ALDH1A1 286/4885

“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.