SCHEMBL4507429

SCHEMBL4507429

O=C1C(Cc2c(Cl)cccc2Cl)CCN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
HSD11B1 P28845 5/20 0.37
P2RX7 Q99572 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 2/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP2A13 Q16696 1/20 0.33
GLA P06280 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
SCHEMBL4501207 0.93 P2RX7 (0.34) EPHX2HSD11B1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL4519727 0.91 HSD11B1 (0.35) EPHX2HSD11B1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL14365292 0.86 HSD11B1 (0.36) EPHX2HSD11B1ROCK2
SCHEMBL4520440 0.85 IDE (0.35) EPHX2HSD11B1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL4514682 0.85 GAA (0.43) EPHX2HSD11B1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL4504367 0.83 EPHX2 (0.31) EPHX2HSD11B1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL4501748 0.82 LMNA (0.35) EPHX2HSD11B1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL4506472 0.81 ALDH1A1 (0.48) P2RX7SMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL13674410 0.80 HSD11B1 (0.56) EPHX2HSD11B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5132089 0.79 ALDH1A1 (0.37) EPHX2P2RX7SMN1; SMN2ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 EPHX2 670/4885HSD11B1 1/4885P2RX7 3946/4885

“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.