SCHEMBL1101908

SCHEMBL1101908

CSc1nc2c(cc1C#N)CCCC2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.94
TSHR P16473 3/20 0.67
HSD17B10 Q99714 3/20 0.67
HTT P42858 2/20 0.67
ALDH1A1 P00352 12/20 0.65
HIF1A Q16665 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 2/20 0.60
ALOX15 P16050 2/20 0.60
NPSR1 Q6W5P4 4/20 0.60
PPARG P37231 3/20 0.60
NCOA2 Q15596 3/20 0.60
NCOA1 Q15788 2/20 0.60
NCOA3 Q9Y6Q9 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP1A2 P05177 1/20 0.58

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
SCHEMBL1101890 0.97 KDM4E (1.00) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL6247209 0.84 KDM4E (0.68) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL15116256 0.81 SMN1; SMN2 (0.65) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL6261485 0.81 KDM4E (0.72) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL7992429 0.81 KDM4E (0.72) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL1105461 0.80 SMN1; SMN2 (0.63) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL7999907 0.78 KDM4E (0.63) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL13610002 0.78 ALDH1A1 (0.69) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL8388800 0.77 SMN1; SMN2 (0.59) KDM4ETSHRHSD17B10HTTALDH1A1
SCHEMBL8388801 0.76 SMN1; SMN2 (0.58) KDM4ETSHRHSD17B10HTTALDH1A1

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 16 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-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-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
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 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 (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 KDM4E 2385/4885TSHR 4176/4885HSD17B10 2209/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885TSHR 4176/4885HSD17B10 2209/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885TSHR 4176/4885HSD17B10 2209/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885TSHR 4176/4885HSD17B10 2209/4885

“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.