SCHEMBL13721251

SCHEMBL13721251

O=C(Cc1ccc(F)cc1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.50
▸ ERBB2 P04626 2/20 0.50
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PRMT1 Q99873 1/20 0.38

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 0.90 AKR1B1 (0.39) EGFRERBB2LMNASMN1; SMN2USP2
SCHEMBL13721332 0.89 EGFR (0.50) EGFRERBB2LMNAALDH1A1CA12
SCHEMBL13720726 0.89 EGFR (0.50) EGFRERBB2PTGDR2PRMT1MEN1
SCHEMBL13720585 0.89 ALDH1A1 (0.40) EGFRERBB2LMNASMN1; SMN2USP2
SCHEMBL13720767 0.88 MAPK8 (0.42) LMNAALDH1A1CA12CA1CA2
SCHEMBL13720548 0.83 AKR1B1 (0.41) EGFRERBB2LMNASMN1; SMN2USP2
SCHEMBL13720446 0.82 KDM4E (0.45) EGFRERBB2ALDH1A1RAB9ACA12
SCHEMBL13720635 0.82 CACNA1G (0.47) ALDH1A1MAPTCASP3CASP7MEN1
SCHEMBL13720205 0.82 CACNA1G (0.47) SMN1; SMN2ALDH1A1MAPTCASP3CASP7
SCHEMBL13720880 0.82 KDM4E (0.52) LMNASMN1; SMN2ALDH1A1RAB9AMAPT

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 EGFR 4683/4885ERBB2 4118/4885LMNA 1022/4885

“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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