SCHEMBL710397

SCHEMBL710397

O=S(=O)(Nc1nc(C(F)(F)F)co1)c1ccc(Nc2nc(Cc3ccc(Cl)cc3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
TRPV4 Q9HBA0 1/20 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
SCHEMBL714308 0.86 KMT2A (0.51) KDM1AADRB2ADRB1ADRB3HTT
SCHEMBL712663 0.78 LMNA (0.62) HTTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL711820 0.76 KDM4E (0.58) ADRB2ADRB1ADRB3HTTKMT2A
SCHEMBL18835237 0.70 ALOX5 (0.59) KDM1AKMT2AALDH1A1ALOX5MAPT
SCHEMBL714319 0.68 LMNA (0.58) KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL29274278 0.67 ALOX5 (0.62) KDM1AKMT2AALDH1A1ALOX5MAPT
SCHEMBL711671 0.67 SCN9A (0.53) KDM1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL713152 0.66 LMNA (0.56) KMT2AALDH1A1SMN1; SMN2MEN1TRPV4
SCHEMBL713939 0.66 SCN9A (0.70) MAPTSMN1; SMN2
SCHEMBL713129 0.65 LMNA (0.60) KMT2AALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
WO-2009012242-A2 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A KDM1A 2075/4885ADRB2 2194/4885ADRB1 2625/4885

“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.