SCHEMBL13633784

SCHEMBL13633784

Cc1nc(-c2ccc(Cl)s2)oc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
UTRN P46939 1/20 0.42
RAB9A P51151 2/20 0.38
S1PR4 O95977 1/20 0.36
CYP2A6 P11509 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL13633786 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1
SCHEMBL13633895 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1
SCHEMBL13633873 0.79 MAPT (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL13633783 0.76 PPARG (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL7496613 0.73 KDM4E (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1
SCHEMBL8813501 0.69 KDM4E (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL5534902 0.68 KDM4E (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL13633894 0.68 IKBKB (0.55) CYP2A6
SCHEMBL144429 0.68 CYP2A6 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1
SCHEMBL9193008 0.66 CYP2A6 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A

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 3 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

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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 ALDH1A1 1255/4885KDM4E 4614/4885HPGD 2962/4885

“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.