SCHEMBL4960341

SCHEMBL4960341

O=C(c1cccc(F)c1)c1cccnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EGFR P00533 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNQ5 Q9NR82 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PARP1 P09874 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL9236130 0.83 KMT2A (0.62) LMNASMN1; SMN2EGFRKMT2AMEN1
SCHEMBL3709112 0.80 SMN1; SMN2 (0.67) LMNASMN1; SMN2EGFRKMT2AMEN1
SCHEMBL10627251 0.79 EGFR (0.52) LMNASMN1; SMN2EGFRKMT2AMEN1
SCHEMBL5365864 0.78 CES2 (0.51) LMNASMN1; SMN2KMT2AMEN1CES2
SCHEMBL950218 0.78 LMNA (0.73) LMNASMN1; SMN2EGFRKMT2AMEN1
SCHEMBL28882362 0.77 KMT2A (0.53) USP2LMNAKMT2AMEN1CYP1A2
SCHEMBL4997555 0.77 KCNQ3 (0.53) USP2SMN1; SMN2KMT2AMEN1CES2
SCHEMBL8192187 0.76 SMN1; SMN2 (0.56) LMNASMN1; SMN2EGFRKMT2AMEN1
Hydrochloric Acid SCHEMBL27671270 0.76 CES2 (0.52) USP2LMNASMN1; SMN2KMT2AMEN1
SCHEMBL2162312 0.76 SMN1; SMN2 (0.59) LMNASMN1; SMN2EGFRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES WU ZHICAI 2010-09-09 US disclosed
EP-1542972-A4 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-01-23 EP disclosed
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITRODMED, INC. (US) 2007-10-11 US disclosed
US-7244753-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-07-17 US disclosed
EP-1542972-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-22 EP disclosed
US-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-04-15 US disclosed
WO-2004010945-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-05 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 (3 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-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 USP2 1477/4885LMNA 4147/4885SMN1; SMN2 2470/4885
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 USP2 3728/4885LMNA 4384/4885SMN1; SMN2 2684/4885
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGS1 USP2 1736/4885LMNA 3877/4885SMN1; SMN2 2950/4885

“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.