SCHEMBL5434623

SCHEMBL5434623

O=C(O)CN(Cc1ccccc1)Cc1cccc(OCCCN2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 10/20 0.48
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.42
MEP1B Q16820 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5428460 0.82 SIGMAR1 (0.46) PPARGSIGMAR1ALDH1A1MAPTMEN1
SCHEMBL5434637 0.80 PPARG (0.52) PPARGPPARAMEP1BNR1H3
SCHEMBL5443680 0.79 PPARG (0.48) PPARGPPARAALDH1A1MAPTMEN1
SCHEMBL5430432 0.74 PPARG (0.52) PPARGPPARAMEP1B
SCHEMBL5425761 0.74 PPARG (0.52) PPARGPPARAMAPTLMNAMEP1B
SCHEMBL5431705 0.73 PPARG (0.48) PPARGPPARAKMT2AMEP1B
SCHEMBL19196333 0.72 SIGMAR1 (0.74) SIGMAR1ALDH1A1MAPTMEN1LMNA
SCHEMBL2062287 0.71 CALM1 (0.62) PPARGPPARAALDH1A1MEP1BNR1H3
SCHEMBL6866302 0.71 SIGMAR1 (0.68) SIGMAR1ALDH1A1MAPTMEN1LMNA
SCHEMBL5431848 0.70 PPARA (0.58) PPARGPPARA

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
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 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 (1 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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 PPARG 615/4885PPARA 990/4885SIGMAR1 1138/4885

“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.