SCHEMBL3484409

SCHEMBL3484409

Nc1ccc(Oc2cccc3c2CCC3=O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
BRD4 O60885 4/20 0.38
BRAF P15056 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
ABCB1 P08183 2/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE7A Q13946 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S1PR1 P21453 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3484671 0.80 KMT2A (0.53) HPGDCYP3A4MAPTLMNAKDM4E
SCHEMBL3484543 0.79 EGFR (0.49) HPGDCYP3A4NFKB1PMP22PDE7A
SCHEMBL3485042 0.78 CASP1 (0.40) HPGDHSD17B10CASP1CASP7BRD4
SCHEMBL3484137 0.77 MRGPRX4 (0.42) HPGDCYP3A4NFKB1PMP22MAPT
SCHEMBL10962477 0.75 IDO1 (0.41) HPGDBRAFCYP3A4
SCHEMBL3484869 0.74 CYP3A4 (0.38) HPGDCYP3A4NFKB1PMP22MAPT
SCHEMBL3484815 0.74 EGFR (0.49) HPGD
SCHEMBL1964539 0.73 CYP3A4 (0.56) HPGDHSD17B10CASP1CYP3A4MAPT
SCHEMBL3484542 0.73 MTNR1A (0.39) HPGDCYP3A4MAPTKDM4EPDE7A
SCHEMBL3485235 0.73 CASP1 (0.46) HSD17B10CASP1CASP7BRD4BRAF

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 3 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
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN 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 HPGD 2243/4885HSD17B10 1854/4885CASP1 2701/4885

“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.