SCHEMBL13063375

SCHEMBL13063375

COC(=O)CN(C)C(=O)CN(C)Sc1c(C)cc(OC)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
HPGD P15428 4/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TACR1 P25103 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL13063117 0.90 CYP3A4 (0.40) HPGDCYP3A4GAAKDM4ESMN1; SMN2
SCHEMBL13063372 0.80 KEAP1 (0.41) HPGDCYP3A4GAAKDM4EKMT2A
SCHEMBL13063141 0.75 KDM4E (0.37) HPGDCYP3A4GAAKDM4ESMN1; SMN2
SCHEMBL12012158 0.75 MAPK1 (0.43) KMT2AMAPK1
SCHEMBL12046796 0.75 HTT (0.44) HPGDCYP3A4KDM4EALDH1A1KMT2A
SCHEMBL13063434 0.74 MTNR1A (0.37) HPGDCYP3A4ALDH1A1KMT2AMEN1
SCHEMBL13063136 0.71 LMNA (0.35) HPGDCYP3A4GAAALDH1A1KMT2A
SCHEMBL13063435 0.70 BRD4 (0.40) HPGDKDM4EALDH1A1MAPTMTNR1A
SCHEMBL12012115 0.68 BDKRB1 (0.40) KMT2AMEN1TSHRHTT
SCHEMBL13063123 0.68 ALDH1A1 (0.32) HPGDCYP3A4GAAALDH1A1KMT2A

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 ATM 4288/4885HPGD 1524/4885CYP3A4 65/4885

“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.