SCHEMBL1785744

SCHEMBL1785744

O=c1[nH]nc(C2(c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PARP1 P09874 1/20 0.45
▸ AR P10275 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ DAO P14920 1/20 0.44
▸ PRMT5 O14744 1/20 0.44
▸ POLB P06746 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL1789115 0.71 KMT2A (0.40) LMNADAOMEN1KMT2ACYP2C9
SCHEMBL19902301 0.70 PRMT5 (0.41) ATMNPSR1PARP1ARLMNA
SCHEMBL14719485 0.68 DAO (0.45) ATMNPSR1PARP1DAOPOLB
SCHEMBL29870198 0.67 NPSR1 (1.00) ATMNPSR1LMNAPOLBKDM4E
SCHEMBL581143 0.67 NPSR1 (1.00) ATMNPSR1LMNAPOLBKDM4E
SCHEMBL1032659 0.66 PRMT5 (0.60) ATMNPSR1PARP1ARLMNA
SCHEMBL2256573 0.66 OPRM1 (0.67) DAOMEN1KMT2ACYP2C9OPRM1
SCHEMBL2256575 0.66 OPRM1 (0.67) DAOMEN1KMT2ACYP2C9OPRM1
SCHEMBL4821149 0.66 ATM (0.53) ATMNPSR1PARP1ARLMNA
SCHEMBL599352 0.65 NPSR1 (0.57) ATMNPSR1PARP1ARLMNA

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-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
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO 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.

Send feedback