SCHEMBL352310

SCHEMBL352310

N#Cc1cc(Cl)cc(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
NOTUM Q6P988 1/20 0.39
PGR P06401 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
TRPA1 O75762 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
RAPGEF3 O95398 2/20 0.36
USP30 Q70CQ3 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRM4 P08173 1/20 0.35
AR P10275 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GRIN2B Q13224 1/20 0.34
DDR1 Q08345 1/20 0.34

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
SCHEMBL1993677 0.88 PGR (0.44) PGRFFAR4TRPA1SCN5ASCN9A
SCHEMBL475727 0.86 PGR (0.43) PGRFFAR4TRPA1SCN5ASCN9A
SCHEMBL16960182 0.81 NOTUM (0.39) NOTUMFFAR4RAPGEF3USP30HDAC3
SCHEMBL16962397 0.81 NOTUM (0.39) NOTUMFFAR4RAPGEF3USP30HDAC3
SCHEMBL1921486 0.80 NOTUM (0.47) NOTUMFFAR4RAPGEF3HDAC3HDAC1
SCHEMBL23384797 0.79 EPAS1 (0.45) PGRTRPA1SCN5ASCN9A
SCHEMBL4528935 0.78 AR (0.43) KCNH2AR
SCHEMBL16950774 0.78 PGR (0.39) PGRFFAR4TRPA1SCN5ASCN9A
SCHEMBL11685204 0.78 PGR (0.41) KCNH2PGRFFAR4TRPA1SCN5A
SCHEMBL15821592 0.78 PGR (0.39) PGRFFAR4TRPA1SCN5ASCN9A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017063966-A1 SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-BENZOTHIAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 WO disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
EP-2542089-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-01-18 EP disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
CN-101238127-A Pyrimidine or triazine fused bicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS INC (US) 2008-08-06 CN disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
EP-1910367-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2006-12-28 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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-20060293345-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, MMP10 KCNH2 4641/4885NOTUM 1037/4885PGR 3608/4885
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT KCNH2 4243/4885NOTUM 4789/4885PGR 1941/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KCNH2 4492/4885NOTUM 1094/4885PGR 3680/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KCNH2 4492/4885NOTUM 1094/4885PGR 3680/4885

“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.