SCHEMBL13720548

SCHEMBL13720548

O=C(Cc1cc(F)cc(F)c1)Nn1nc(S(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.41
▸ EGFR P00533 6/20 0.39
▸ ERBB2 P04626 6/20 0.39
▸ FPR1 P21462 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL13720795 0.92 AKR1B1 (0.39) AKR1B1EGFRERBB2CYP2C9USP2
SCHEMBL13720697 0.88 ABCB1 (0.35) AKR1B1CYP2C9USP2LMNASMN1; SMN2
SCHEMBL13720726 0.87 EGFR (0.50) EGFRERBB2MEN1KMT2A
SCHEMBL13720804 0.85 EGFR (0.50) EGFRERBB2MEN1KMT2ALMNA
SCHEMBL13721251 0.83 EGFR (0.50) EGFRERBB2MEN1KMT2ACYP2C9
SCHEMBL13721769 0.82 SIGMAR1 (0.39) AKR1B1EGFRERBB2POLBUSP2
SCHEMBL13721463 0.80 AKR1B1 (0.41) AKR1B1FPR1FPR2MEN1KMT2A
SCHEMBL13720585 0.79 ALDH1A1 (0.40) EGFRERBB2MEN1KMT2AUSP2
SCHEMBL1786512 0.78 KMT2A (0.48) AKR1B1MEN1KMT2APOLBUSP2
SCHEMBL1789011 0.78 TRPV1 (0.41) AKR1B1MEN1KMT2APOLBUSP2

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.

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