SCHEMBL13720795

SCHEMBL13720795

O=C(Cc1cc(F)cc(F)c1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PSEN1 P49768 4/20 0.36
▸ PSEN2 P49810 4/20 0.36
▸ APH1B Q8WW43 4/20 0.36
▸ NCSTN Q92542 4/20 0.36
▸ APH1A Q96BI3 4/20 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
SCHEMBL13720548 0.92 AKR1B1 (0.41) AKR1B1EGFRERBB2SIGMAR1CYP2C9
SCHEMBL13721251 0.90 EGFR (0.50) EGFRERBB2CYP2C9PTGDR2USP2
SCHEMBL13720697 0.89 ABCB1 (0.35) AKR1B1CYP2C9NAMPTUSP2LMNA
SCHEMBL13721769 0.88 SIGMAR1 (0.39) AKR1B1EGFRERBB2SIGMAR1FEN1
SCHEMBL13720726 0.84 EGFR (0.50) EGFRERBB2PTGDR2
SCHEMBL13721332 0.84 EGFR (0.50) AKR1B1EGFRERBB2CYP2C9LMNA
SCHEMBL13720205 0.83 CACNA1G (0.47) AKR1B1SIGMAR1IDH1SMN1; SMN2PTGS1
SCHEMBL13720635 0.83 CACNA1G (0.47) NAMPTIDH1
SCHEMBL13720767 0.83 MAPK8 (0.42) PTGDR2IDH1LMNA
SCHEMBL13720880 0.83 KDM4E (0.52) AKR1B1SIGMAR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO claimed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US 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 (1 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 AKR1B1 236/4885EGFR 4683/4885ERBB2 4118/4885

“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.

Send feedback