SCHEMBL3756181

SCHEMBL3756181

COc1cccc([C@@H](C)N2C(=O)c3ccccc3C2C(=O)NCc2ccccc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.59
P2RX7 Q99572 5/20 0.52
CASR P41180 2/20 0.49
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3750611 0.90 KCNA5 (0.62) KCNA5P2RX7NPSR1MAPTMAPK1
SCHEMBL3745343 0.87 KCNA5 (0.78) KCNA5CASRNPSR1KMT2ASMN1; SMN2
SCHEMBL3752188 0.80 KCNA5 (0.59) KCNA5P2RX7CASRKMT2AALDH1A1
SCHEMBL3759015 0.79 KCNA5 (0.56) KCNA5P2RX7KMT2AALDH1A1KCNH2
SCHEMBL3751983 0.79 KCNA5 (0.58) KCNA5P2RX7CASRKMT2AALDH1A1
SCHEMBL3751958 0.77 KCNA5 (0.82) KCNA5SMN1; SMN2ALDH1A1POLBKCNH2
SCHEMBL3749998 0.77 KCNA5 (0.75) KCNA5P2RX7KCNH2SCN9ATSHR
SCHEMBL3750640 0.76 KCNA5 (0.59) KCNA5P2RX7KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3750619 0.75 KCNA5 (0.75) KCNA5ALDH1A1POLBKCNH2SCN9A
SCHEMBL3754213 0.75 KCNA5 (0.65) KCNA5P2RX7KMT2AALDH1A1KCNH2

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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 (2 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KCNA5 69/4885P2RX7 1839/4885CASR 2636/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885P2RX7 1138/4885CASR 2964/4885

“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.