SCHEMBL1786583

SCHEMBL1786583

O=c1[nH]nc(C2CCC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PARP1 P09874 2/20 0.46
AR P10275 1/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 1/20 0.44
ROCK2 O75116 3/20 0.44
CYP1A2 P05177 2/20 0.44
ROCK1 Q13464 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1786994 0.97 PRMT5 (0.48) ATMNPSR1PARP1ARPRMT5
SCHEMBL1790181 0.95 PRMT5 (0.47) ATMNPSR1PARP1ARPRMT5
SCHEMBL1789261 0.93 ATM (0.50) ATMNPSR1PARP1ARPRMT5
SCHEMBL12845934 0.87 ATM (0.45) ATMNPSR1PARP1ARPRMT5
SCHEMBL19902284 0.85 PRMT5 (0.45) ATMNPSR1PARP1ARPRMT5
SCHEMBL19902331 0.85 PRMT5 (0.45) ATMNPSR1PARP1ARPRMT5
SCHEMBL19902592 0.85 ATM (0.44) ATMNPSR1PARP1ARPRMT5
SCHEMBL19902312 0.85 PRMT5 (0.45) ATMNPSR1PARP1ARPRMT5
SCHEMBL1933205 0.85 PRMT5 (0.38) ATMNPSR1PARP1ARPRMT5
SCHEMBL12803793 0.84 PARP1 (0.44) PARP1ROCK2ROCK1NPC1RAB9A

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-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 ATM 3548/4885NPSR1 505/4885PARP1 1896/4885

“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.