SCHEMBL13063434

SCHEMBL13063434

COc1cc(C)c(SN(C)CC(=O)NCCN)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
MPO P05164 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13063435 0.82 BRD4 (0.40) MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL13063117 0.80 CYP3A4 (0.40) MTNR1AMTNR1BTSHRMEN1KMT2A
SCHEMBL13063372 0.78 KEAP1 (0.41) TSHRMEN1KMT2AHPGDCYP3A4
SCHEMBL3440550 0.77 PKM (0.48) KMT2AALDH1A1
SCHEMBL13063375 0.74 ATM (0.36) MTNR1AMTNR1BTSHRMEN1KMT2A
SCHEMBL12046796 0.73 HTT (0.44) TSHRMEN1KMT2AHPGDCYP3A4
SCHEMBL13942591 0.72 MAPK1 (0.43) MTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL13063141 0.71 KDM4E (0.37) MTNR1AMTNR1BTSHRMEN1KMT2A
SCHEMBL13063136 0.69 LMNA (0.35) TSHRMEN1KMT2AHPGDCYP3A4
SCHEMBL12012115 0.67 BDKRB1 (0.40) TSHRMEN1KMT2A

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 MTNR1A 384/4885MTNR1B 159/4885FGFR1 462/4885

“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.