SCHEMBL22403591

SCHEMBL22403591

Clc1ccc(N(c2ccccc2-c2ccccc2)c2cccc3sc4ccccc4c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
F9 P00740 1/20 0.33
GPR3 P46089 1/20 0.32
LIMK1 P53667 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
DHODH Q02127 1/20 0.31
CRHR1 P34998 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC9A1 P19634 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL24370267 0.87 F9 (0.35) F9GPR3LIMK1SLC9A1
SCHEMBL24370075 0.87 F9 (0.35) F9GPR3LIMK1SLC9A1
SCHEMBL24472411 0.87 GPR3 (0.35) F9GPR3LIMK1SLC9A1
SCHEMBL24472136 0.87 GPR3 (0.35) F9GPR3LIMK1SLC9A1
SCHEMBL25608281 0.87 GPR3 (0.39) F9GPR3LIMK1CRHR1SLC9A1
SCHEMBL26306451 0.86 PTGDR2 (0.38) KDM4EGPR3CYP1A2GABRA1GABRA5
SCHEMBL24471845 0.86 GPR3 (0.34) F9GPR3LIMK1
SCHEMBL24370073 0.85 F9 (0.37) F9GPR3LIMK1CRHR1SLC9A1
SCHEMBL24471846 0.85 F9 (0.38) F9GPR3LIMK1SLC9A1
SCHEMBL24472414 0.85 F9 (0.38) F9GPR3LIMK1SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200287140-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-09-10 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-20200287140-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF OR51E2, PIEZO1, OR10J3 KDM4E 730/4885F9 372/4885GPR3 4776/4885

“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.