SCHEMBL13969733

SCHEMBL13969733

Cc1ccc(CCS(=O)(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
NPC1 O15118 1/20 0.66
ALDH1A1 P00352 6/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
RECQL P46063 1/20 0.53
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ACHE P22303 1/20 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
SCHEMBL20436785 0.91 KMT2A (0.77) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL27773636 0.83 KMT2A (0.66) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL16273105 0.83 KMT2A (0.71) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL11102761 0.83 KMT2A (0.66) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL20436788 0.82 KMT2A (0.65) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL7063704 0.82 KMT2A (0.70) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL6509990 0.82 MAOB (0.57) KMT2ANPC1RECQLGAACA12
SCHEMBL3381366 0.82 GAA (0.55) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL18124423 0.82 ALDH1A1 (0.77) KMT2ANPC1ALDH1A1CYP2C19CYP3A4
SCHEMBL9031768 0.80 KMT2A (0.57) KMT2ANPC1ALDH1A1CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US disclosed
WO-2009012241-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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 (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-20140357685-A1 Sodium Channel Inhibitors TRPV1, SCN1A, SCN2A KMT2A 1804/4885NPC1 756/4885ALDH1A1 2837/4885

“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.