SCHEMBL1415796

SCHEMBL1415796

Clc1cc(Cl)nc(Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GLA P06280 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
ADRB2 P07550 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 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
SCHEMBL1415750 0.87 PAX8 (0.41) PAX8LTA4HTSHRKMT2ASMN1; SMN2
SCHEMBL1415728 0.85 SMN1; SMN2 (0.60) PAX8TSHRKMT2ASMN1; SMN2MEN1
SCHEMBL1415356 0.84 L3MBTL1 (0.59) PAX8KMT2ASMN1; SMN2MEN1GAA
SCHEMBL1415722 0.82 PAX8 (0.41) PAX8LTA4HTSHRKMT2ASMN1; SMN2
SCHEMBL1415751 0.82 PAX8 (0.41) PAX8LTA4HKMT2ASMN1; SMN2MEN1
SCHEMBL1006428 0.81 PAX8 (0.63) PAX8LTA4HTSHRKMT2ASMN1; SMN2
SCHEMBL17413516 0.80 LTA4H (0.55) LTA4HTSHRKMT2ASMN1; SMN2MEN1
SCHEMBL1639470 0.80 KDM4E (0.50) PAX8LTA4HTSHRKMT2ASMN1; SMN2
SCHEMBL49317 0.80 PAX8 (0.53) PAX8LTA4HTSHRKMT2ASMN1; SMN2
SCHEMBL1415483 0.80 LTA4H (0.46) PAX8LTA4HKMT2ASMN1; SMN2MEN1

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-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
EP-1490360-B1 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2011-03-16 EP disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
WO-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 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-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 (2 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-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG PAX8 339/4885LTA4H 2655/4885TSHR 343/4885
US-20040122031-A1 Thiazolidinedione and pharmaceutical composition comprising the same GLP1R, PPARD, SLC5A1 PAX8 3676/4885LTA4H 2045/4885TSHR 246/4885

“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.