SCHEMBL4194133

SCHEMBL4194133

O=c1c(Cl)c(O)cnn1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 11/20 0.43
ALDH1A1 P00352 10/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
LMNA P02545 7/20 0.43
NPC1 O15118 6/20 0.41
MITF O75030 4/20 0.41
RAB9A P51151 9/20 0.39
NPSR1 Q6W5P4 7/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.39
MAPT P10636 6/20 0.39
PTGS2 P35354 1/20 0.37
XBP1 P17861 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 1/20 0.36
TP53 P04637 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL4190041 0.83 HTT (0.55) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL9828927 0.77 GAA (0.57) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL20974199 0.74 ALDH1A1 (0.42) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL10374777 0.73 HTT (0.44) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL9372838 0.73 HTT (0.38) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2326495 0.73 HTR2A (0.41) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7806721 0.73 HTT (0.46) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2323909 0.72 GAA (0.41) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4799238 0.72 ALDH1A1 (0.52) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4184566 0.72 PTGS2 (0.40) HTTALDH1A1SMN1; SMN2LMNANPC1

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 9 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-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 (4 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 HTT 4826/4885ALDH1A1 277/4885SMN1; SMN2 4601/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 HTT 4796/4885ALDH1A1 276/4885SMN1; SMN2 4576/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTT 4802/4885ALDH1A1 286/4885SMN1; SMN2 4516/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTT 4802/4885ALDH1A1 286/4885SMN1; SMN2 4516/4885

“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.