SCHEMBL2766907

SCHEMBL2766907

CS(=O)(=O)Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.55
MAOB P27338 2/20 0.53
NR1I2 O75469 1/20 0.52
PPARG P37231 4/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BRD4 O60885 2/20 0.50
RORC P51449 1/20 0.48
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNQ4 P56696 2/20 0.47
KCNQ5 Q9NR82 2/20 0.47
BRPF1 P55201 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.45

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
SCHEMBL30794841 1.00 EPHX2 (0.55) EPHX2MAOBNR1I2PPARGHDAC3
SCHEMBL6085901 0.89 NR1I2 (0.56) EPHX2MAOBNR1I2PPARGHDAC3
SCHEMBL30795707 0.87 NR1I2 (0.66) EPHX2NR1I2PPARGHDAC3HDAC1
SCHEMBL2769220 0.87 NR1I2 (0.66) EPHX2NR1I2PPARGHDAC3HDAC1
SCHEMBL6085060 0.87 KCNQ3 (0.64) EPHX2MAOBNR1I2PPARGRORC
SCHEMBL31577328 0.81 BRPF1 (0.53) EPHX2MAOBNR1I2PPARGHDAC3
SCHEMBL31577283 0.79 EPHX2 (0.49) EPHX2MAOBNR1I2PPARGHDAC3
SCHEMBL24071346 0.78 HDAC8 (0.58) EPHX2NR1I2HDAC3HDAC1HDAC2
SCHEMBL31577315 0.78 EPHX2 (0.48) EPHX2MAOBNR1I2PPARGHDAC3
SCHEMBL6085382 0.77 HDAC3 (0.54) EPHX2MAOBHDAC3HDAC1HDAC2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442016-B1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CHEILJEDANG CORP (KR) 2010-04-21 EP claimed
US-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US claimed
JP-2006524641-A 2006-11-02 JP claimed
EP-1631546-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2006-03-08 EP claimed
EP-1442016-A4 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORP (KR) 2005-05-25 EP claimed
WO-2004096767-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 WO claimed
EP-1442016-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR Cheil Jedang Corporation (KR) 2004-08-04 EP claimed
US-6599929-B2 Cyclooxygenase-2 is induced by inflammatory factors, hormones, growth factors, cytokines etc CHEIL JEDANG CORPORATION (KR) 2003-07-29 US claimed
US-20030109568-A1 1H-indole derivatives as a highly selective cyclooxygenase-2 inhibitor CHEIL JEDANG CORPORATION (KR) 2003-06-12 US claimed
WO-2003031409-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORPORATION (KR) 2003-04-17 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-1442016-B1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CHEILJEDANG CORP (KR) 2010-04-21 EP disclosed
US-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
WO-2004096767-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 WO disclosed
EP-1442016-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR Cheil Jedang Corporation (KR) 2004-08-04 EP disclosed
US-6599929-B2 Cyclooxygenase-2 is induced by inflammatory factors, hormones, growth factors, cytokines etc CHEIL JEDANG CORPORATION (KR) 2003-07-29 US disclosed
US-20030109568-A1 1H-indole derivatives as a highly selective cyclooxygenase-2 inhibitor CHEIL JEDANG CORPORATION (KR) 2003-06-12 US disclosed
WO-2003031409-A1 1H-INDOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORPORATION (KR) 2003-04-17 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 (2 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-20030109568-A1 1H-indole derivatives as a highly selective cyclooxygenase-2 inhibitor IDO1, IDO2, PTGS1 EPHX2 304/4885MAOB 77/4885NR1I2 448/4885
US-20060264496-A1 Substituted indoline and indole derivatives IDO1, IDO2, INMT EPHX2 4540/4885MAOB 31/4885NR1I2 244/4885

“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.