SCHEMBL5114003

SCHEMBL5114003

CCOC(=O)CCc1cn(Cc2ccc(Cl)cc2Cl)nc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
PPARG P37231 6/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 2/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL5107205 0.84 LMNA (0.44) LMNAALDH1A1KDM4EPPARGCYP3A4
SCHEMBL6035392 0.82 CYP4F2 (0.46) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5113087 0.79 TLR8 (0.42) LMNAALDH1A1KDM4EPPARGCYP3A4
SCHEMBL3208410 0.79 PPARG (0.61) PPARG
SCHEMBL901696 0.78 CYP4F2 (0.53) LMNAALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL6035780 0.74 CYP4F2 (0.38) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3216029 0.74 PPARG (0.78) PPARG
SCHEMBL3217811 0.74 PPARG (0.55) LMNAALDH1A1PPARGSMN1; SMN2HTT
SCHEMBL6824377 0.72 LMNA (0.52) LMNAALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5107645 0.72 PPARG (0.51) ALDH1A1PPARGSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US claimed
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 LMNA 3761/4885ALDH1A1 1527/4885KDM4E 1854/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 LMNA 4691/4885ALDH1A1 2588/4885KDM4E 1401/4885

“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.