SCHEMBL1090992

SCHEMBL1090992

Cc1ccc2c(Cl)cc(Cl)[c]c2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ADORA1 P30542 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 5/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 3/20 0.35
S1PR4 O95977 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NR4A2 P43354 2/20 0.32
MEN1 O00255 1/20 0.32
CCR1 P32246 1/20 0.31
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL2960211 0.68 ADORA1 (0.64) MAPTADORA1L3MBTL1LMNAKDM4E
SCHEMBL7302758 0.68 L3MBTL1 (0.46) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL23673237 0.67 CCR1 (0.35) MAPTKMT2AGAACCR1RAB9A
SCHEMBL5258862 0.65 POLB (0.56) MAPTADORA1L3MBTL1LMNAKMT2A
SCHEMBL30160653 0.65 ADORA1 (0.60) MAPTADORA1L3MBTL1LMNAKDM4E
SCHEMBL22710270 0.65 MAPT (0.68) MAPTADORA1L3MBTL1LMNAKDM4E
SCHEMBL13622766 0.65 ADORA1 (0.60) MAPTADORA1L3MBTL1LMNAKDM4E
SCHEMBL10700262 0.65 MAPT (0.62) MAPTADORA1L3MBTL1LMNAKDM4E
SCHEMBL4738026 0.64 MAPT (0.66) MAPTADORA1L3MBTL1LMNAKDM4E
SCHEMBL20561879 0.64 MAPT (0.64) MAPTADORA1L3MBTL1LMNAKDM4E

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 13 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-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
EP-2332912-A1 Heteroarylaminosulfonylphenylderivates for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
EP-2327701-A1 Heteroarylaminosulfonylphenyl derivatives for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-01 EP 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 MAPT 1883/4885ADORA1 1990/4885L3MBTL1 4236/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885ADORA1 1990/4885L3MBTL1 4236/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885ADORA1 1990/4885L3MBTL1 4236/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885ADORA1 1990/4885L3MBTL1 4236/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885ADORA1 1990/4885L3MBTL1 4236/4885

“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.