SCHEMBL3483987

SCHEMBL3483987

COc1cccc2c1C(C)(C)C(=O)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD11B1 P28845 3/20 0.40
PDE10A Q9Y233 1/20 0.40
AADAT Q8N5Z0 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL30972520 0.79 ALDH1A1 (0.43) MGLLHSD11B1AADATMAPTMEN1
SCHEMBL7823372 0.79 CYP1A2 (0.41) MGLLALOX15HSD11B1AADATMAPT
SCHEMBL28050747 0.77 OPRM1 (0.44) MGLLMAPTMEN1KMT2APOLB
SCHEMBL8672902 0.76 MGLL (0.38) MGLLHSD11B1AADATMAPTMEN1
SCHEMBL3484574 0.75 CYP3A4 (0.35) ALOX15MAPTMEN1KMT2APOLB
SCHEMBL28225951 0.75 MGLL (0.40) MGLLMAPTMEN1KMT2APOLB
SCHEMBL3485022 0.75 KDM4E (0.39) ALOX15MAPTMEN1KMT2APOLB
SCHEMBL14330676 0.75 MAPT (0.41) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL31527999 0.74 NR1H3 (0.37) ALOX15HSD11B1PDE10APOLBKDM4E
SCHEMBL16255575 0.74 MAPT (0.49) MGLLMAPTMEN1KMT2APOLB

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 MGLL 4772/4885ALOX15 4241/4885HSD11B1 1980/4885

“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.