SCHEMBL3282255

SCHEMBL3282255

Nc1ccc(NC(=O)COc2ccnc3c(C(F)(F)F)cccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NAMPT P43490 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CETP P11597 3/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
FLT4 P35916 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL3282251 0.90 MEN1 (0.60) NOTUMMEN1KMT2AMAPTL3MBTL1
SCHEMBL16233330 0.88 NOTUM (0.48) NOTUMMEN1KMT2AMAPTL3MBTL1
SCHEMBL11912017 0.87 NOTUM (0.47) NOTUMMEN1KMT2AMAPTL3MBTL1
SCHEMBL1091007 0.83 PKM (0.49) NOTUMMEN1KMT2AMAPTNPC1
SCHEMBL1091028 0.83 MEN1 (0.46) NOTUMMEN1KMT2AMAPTL3MBTL1
SCHEMBL10165495 0.83 POLB (0.47) NOTUMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10165483 0.83 POLB (0.49) NOTUMMEN1KMT2AALDH1A1
SCHEMBL1091717 0.80 MAPT (0.45) NOTUMMEN1KMT2AMAPTL3MBTL1
SCHEMBL1091092 0.79 KDM4E (0.49) L3MBTL1SMN1; SMN2GSK3AGSK3BDYRK3
SCHEMBL16234628 0.79 GSK3A (0.45) NOTUMGSK3AGSK3BDYRK3PRKD3

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 10 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-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-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
EP-1673357-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-28 EP disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 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 (5 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 NOTUM 2056/4885MEN1 2329/4885KMT2A 3111/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 NOTUM 2056/4885MEN1 2329/4885KMT2A 3111/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 NOTUM 2056/4885MEN1 2329/4885KMT2A 3111/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 NOTUM 2056/4885MEN1 2329/4885KMT2A 3111/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 NOTUM 2056/4885MEN1 2329/4885KMT2A 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.