SCHEMBL1349031

SCHEMBL1349031

O=S(=O)(Nc1nccs1)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP2C9 P11712 1/20 0.53
EDNRA P25101 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50

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
SCHEMBL1349837 0.82 MEN1 (0.54) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL1348233 0.79 MEN1 (0.53) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL326633 0.76 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL3918863 0.75 MAPT (0.75) ALDH1A1LMNAKDM4ESMN1; SMN2MMP2
SCHEMBL3917085 0.75 CHEK2 (0.67) ALDH1A1LMNAKDM4ESMN1; SMN2MMP2
SCHEMBL9974092 0.75 PKM (0.64) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2
SCHEMBL9972189 0.75 PKM (0.68) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2
SCHEMBL5635439 0.74 CHEK2 (0.72) ALDH1A1LMNAKDM4ESMN1; SMN2MMP2
Hydrochloric Acid SCHEMBL27575105 0.74 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL3564516 0.74 CHEK2 (0.71) ALDH1A1LMNAKDM4ETDP1SMN1; 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-8063080-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2011-11-22 US disclosed
US-20100041707-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-02-18 US disclosed
US-7615569-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2009-11-10 US disclosed
EP-1922068-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Icagen, Inc. (US) 2008-05-21 EP disclosed
US-20070078145-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-04-05 US disclosed
WO-2007021941-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS ICAGEN, INC. (US) 2007-02-22 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 (2 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-20100041707-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPA1, CACNA1B ALDH1A1 3009/4885LMNA 3621/4885KDM4E 2022/4885
US-20070078145-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPA1, CACNA1B ALDH1A1 3009/4885LMNA 3621/4885KDM4E 2022/4885

“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.