SCHEMBL3484191

SCHEMBL3484191

Nc1ccc(Oc2ccc3c(c2)C(=O)N=C3)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.42
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
PNLIP P16233 1/20 0.37
ATM Q13315 1/20 0.35
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
EPX P11678 1/20 0.34
LPO P22079 1/20 0.34
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 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
SCHEMBL3485032 0.90 PDE7A (0.42) PDE7AHTR2ASLC6A4PNLIPATM
SCHEMBL3484018 0.80 PDE7A (0.56) PDE7AMEN1ALDH1A1MAPTKMT2A
SCHEMBL2529842 0.76 NPC1 (0.41) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3484008 0.74 CYP3A4 (0.34) PDE7APNLIPMEN1ALDH1A1MAPT
SCHEMBL4318630 0.73 PDE7A (0.63) PDE7AHTR2ASLC6A4PNLIPCYP1A2
SCHEMBL3484193 0.73 EGFR (0.49) PDE7AHTR2ASLC6A4PNLIPATM
SCHEMBL3485235 0.72 CASP1 (0.46) PDE7AHTR2ASLC6A4PNLIP
SCHEMBL11460671 0.72 HTR2A (0.63) PDE7AHTR2ASLC6A4PNLIPMPO
SCHEMBL3484631 0.71 PDE7A (0.42) PDE7AHTR2ASLC6A4PNLIPMPO
SCHEMBL7184491 0.70 PDE7A (0.53) PDE7AHTR2ASLC6A4PNLIPMPO

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 PDE7A 4340/4885HTR2A 1970/4885SLC6A4 4245/4885

“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.