SCHEMBL1414937

SCHEMBL1414937

Clc1ccc(Oc2cc(Cl)ncn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KMO O15229 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HAO1 Q9UJM8 2/20 0.44
SCN9A Q15858 2/20 0.44
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
P2RX3 P56373 5/20 0.42
RAF1 P04049 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40

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
SCHEMBL3410505 0.98 MEN1 (0.53) MEN1KMT2AKMOHTTL3MBTL1
SCHEMBL691398 0.85 NPC1 (0.57) MEN1KMT2AKMOL3MBTL1CYP2C9
SCHEMBL1415575 0.85 KMO (0.44) MEN1KMT2AKMOL3MBTL1CYP2C9
SCHEMBL1457569 0.85 MEN1 (0.47) MEN1KMT2AKMOSCN9ACYP2C9
SCHEMBL1415354 0.85 ALDH1A1 (0.45) MEN1KMT2AKMOHTTL3MBTL1
SCHEMBL1415433 0.85 SMN1; SMN2 (0.52) MEN1KMT2AKMOHTTL3MBTL1
SCHEMBL1415748 0.85 L3MBTL1 (0.45) MEN1KMT2AKMOHTTL3MBTL1
SCHEMBL191210 0.85 NPC1 (0.61) KMOHTTL3MBTL1CYP2C9SMN1; SMN2
SCHEMBL1415442 0.82 KMO (0.42) MEN1KMT2AKMOL3MBTL1CYP2C9
SCHEMBL1415357 0.82 SMN1; SMN2 (0.58) MEN1KMT2AKMOHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-1490360-B1 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2011-03-16 EP disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
EP-1490360-A4 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2006-07-05 EP disclosed
EP-1490360-A1 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2004-12-29 EP disclosed
US-6787551-B2 ORAL ADMINISTRATION; TREATING INSULIN RESISTANCE USING A NEW MECHANISM TO LOWER BLOOD SUGAR LEVEL BY INCREASING PHYSIOLOG-ICAL EFFECTS OF INSULIN ON TARGET CELLS (MUSCLE, ADIPOCYTES, LIVER); ALSO STRONGER ANTILIPIDEMIC THAN ROSIGLITAZONE CHONG KUN DANG PHARMACEUTICAL CORPORATION (KR) 2004-09-07 US disclosed
US-20040122031-A1 Thiazolidinedione and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-06-24 US disclosed
WO-2003080605-A1 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2003-10-02 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 (3 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MEN1 1852/4885KMT2A 2755/4885KMO 4286/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MEN1 1873/4885KMT2A 2670/4885KMO 4246/4885
US-20040122031-A1 Thiazolidinedione and pharmaceutical composition comprising the same GLP1R, PPARD, SLC5A1 MEN1 3913/4885KMT2A 3993/4885KMO 1887/4885

“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.