SCHEMBL4640129

SCHEMBL4640129

Nc1cc(Cl)c(-n2cccc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 2/20 0.35
NOTUM Q6P988 1/20 0.34
MAPT P10636 2/20 0.34
CASP6 P55212 2/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
CASP9 P55211 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP8 Q14790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 3/20 0.33
TSHR P16473 3/20 0.33

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
SCHEMBL8611564 0.89 GAA (0.46) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL30758081 0.84 GAA (0.46) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL11830148 0.84 GAA (0.46) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL13480887 0.74 POLB (0.45) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL22636601 0.74 AHR (0.42) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL10913318 0.72 CYP3A4 (0.56) GAAKDM4EPOLBALDH1A1PKM
SCHEMBL10914973 0.72 KDM4E (0.50) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL64092 0.72 GAA (1.00) GAAALDH1A1CA12CA9CASP6
SCHEMBL29266693 0.71 POLB (0.42) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL4640128 0.71 CA12 (0.42) GAAPOLBL3MBTL1ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 GAA 1346/4885KDM4E 4268/4885POLB 2744/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 GAA 1346/4885KDM4E 4268/4885POLB 2744/4885

“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.