SCHEMBL13063417

SCHEMBL13063417

COc1cc(C)c(SN(C)CCC(=O)N(C)c2ccc(N3CCCC(N(C)C)CC3)cc2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PLK1 P53350 1/20 0.34
HTR1B P28222 1/20 0.33
CTSC P53634 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CETP P11597 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BDKRB1 P46663 1/20 0.32
RORC P51449 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12047424 0.86 MAPT (0.44) MCHR1HTR1BPOLBMAPTALDH1A1
SCHEMBL3439650 0.84 BDKRB1 (0.46) BDKRB1
SCHEMBL3440174 0.80 BDKRB1 (0.47) BDKRB1
SCHEMBL13063366 0.77 BDKRB1 (0.43) MCHR1BDKRB1RORC
SCHEMBL13876982 0.72 TRPV1 (0.41) MCHR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL12046806 0.71 MAPK1 (0.44) POLBMAPTALDH1A1GAAGFER
SCHEMBL12012188 0.71 MAPT (0.33) MCHR1PLK1POLBMAPTALDH1A1
SCHEMBL13063411 0.70 L3MBTL3 (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3439589 0.70 BDKRB1 (0.49) MCHR1POLBMAPTALDH1A1GAA
SCHEMBL13876869 0.70 DRD4 (0.44) SIGMAR1POLBALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 MCHR1 587/4885TMEM97 3218/4885SIGMAR1 233/4885

“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.