SCHEMBL1785262

SCHEMBL1785262

O=c1[nH]nc(-c2ccc(F)cc2F)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.55
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AR P10275 3/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ROCK2 O75116 2/20 0.46
NAMPT P43490 1/20 0.46
ABCC8 Q09428 1/20 0.45

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
SCHEMBL7884963 0.79 ATM (0.73) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL1785622 0.75 NPSR1 (0.67) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL28812947 0.74 AR (0.76) NPSR1ARLMNAPRMT5PARP1
SCHEMBL30719641 0.73 ATM (0.59) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL23496942 0.73 ATM (0.59) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL15897977 0.72 MAPT (0.76) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL30954305 0.71 ATM (0.49) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL27348252 0.71 ATM (0.49) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL2230907 0.71 ATM (0.61) ROCK1ATMNPSR1MAPTALDH1A1
SCHEMBL7892211 0.71 NPSR1 (0.61) ROCK1ATMNPSR1MAPTALDH1A1

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 ROCK1 1959/4885ATM 3548/4885NPSR1 505/4885

“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.