SCHEMBL13633786

SCHEMBL13633786

Cc1ccc(-c2nc(C)c(C)o2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GFER P55789 1/20 0.40
HTR2A P28223 1/20 0.40
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
PPARG P37231 3/20 0.36
GPR119 Q8TDV5 2/20 0.36
PPARA Q07869 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL13633873 0.83 MAPT (0.39) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL13633784 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EPGRPTGS1PTGS2
SCHEMBL1870800 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL13633783 0.80 PPARG (0.43) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL13633776 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL14439025 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL5476168 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL5123808 0.74 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL12618444 0.74 HDAC4 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8813501 0.73 KDM4E (0.50) ALDH1A1KDM4ELMNAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
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

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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 ALDH1A1 1358/4885KDM4E 4107/4885LMNA 949/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 ALDH1A1 1255/4885KDM4E 4614/4885LMNA 751/4885

“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.