SCHEMBL4213610

SCHEMBL4213610

CC(=O)Nc1cccc(SCc2ccccc2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.50
PPARA Q07869 8/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NAPRT Q6XQN6 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
CRBN Q96SW2 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL14019251 0.80 PPARG (0.58) PPARGPPARAKDM4EPOLBSMN1; SMN2
SCHEMBL5766430 0.79 CRBN (0.45) POLBSMN1; SMN2HSD17B10ALDH1A1CRBN
SCHEMBL13877020 0.79 KDM4E (0.64) KDM4EPOLBSMN1; SMN2LMNAHSD17B10
SCHEMBL1931922 0.79 ALDH1A1 (0.61) PPARGPPARAKDM4ESMN1; SMN2LMNA
SCHEMBL29770828 0.79 ALDH1A1 (0.61) PPARGPPARAKDM4ESMN1; SMN2LMNA
SCHEMBL10294635 0.76 POLB (0.58) POLBHSD17B10NAPRTALDH1A1CRBN
SCHEMBL27808295 0.75 PPARG (0.65) PPARGPPARALMNAALDH1A1GAA
SCHEMBL4220016 0.74 NPC1 (0.61) KDM4ESMN1; SMN2LMNAHSD17B10ALDH1A1
SCHEMBL31478930 0.74 PPARG (0.63) PPARGPPARAKDM4EPOLBSMN1; SMN2
SCHEMBL18518257 0.74 POLB (0.55) POLBHSD17B10NAPRTALDH1A1CRBN

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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 US disclosed
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 US disclosed
EP-1881968-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2008-01-30 EP disclosed
WO-2006120010-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2006-11-16 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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds BDKRB1, IL1R1, IL1A PPARG 1914/4885PPARA 2333/4885KDM4E 1901/4885

“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.