SCHEMBL1101916

SCHEMBL1101916

CCn1c(=S)oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 4/20 0.51
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MIF P14174 1/20 0.46
GFER P55789 1/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
MDM2 Q00987 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL11556953 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL6743259 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL11074949 0.81 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL14262280 0.79 MIF (0.52) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL17156221 0.78 MIF (0.68) ALDH1A1MAPTHPGDUSP2TSHR
SCHEMBL904819 0.77 MAPK1 (0.72) ALDH1A1HPGDUSP2TSHRMAPK1
SCHEMBL9873167 0.77 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL18418413 0.76 MIF (0.69) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL11192533 0.75 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL2149849 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (4 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885MAPT 1883/4885KMT2A 3111/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885MAPT 1883/4885KMT2A 3111/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885MAPT 1883/4885KMT2A 3111/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885MAPT 1883/4885KMT2A 3111/4885

“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.