SCHEMBL1789439

SCHEMBL1789439

O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(-c2ccc(C(F)(F)F)cc2)c2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.41
MAPT P10636 6/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1B1 P15121 1/20 0.36
P2RX7 Q99572 1/20 0.36
SMO Q99835 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1791521 1.00 KDM4E (0.43) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL1789441 1.00 KDM4E (0.43) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL1791523 1.00 KDM4E (0.43) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL30795733 1.00 KDM4E (0.43) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL1786942 0.90 MAPT (0.45) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL1791226 0.90 MAPT (0.45) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL30794868 0.90 MAPT (0.45) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL1791227 0.90 MAPT (0.45) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL1786940 0.90 MAPT (0.45) KDM4ENPSR1MCHR1MAPTTP53
SCHEMBL13720806 0.89 LMNA (0.39) KDM4EMAPTTP53HPGDPOLB

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 claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 US claimed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US 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 KDM4E 574/4885NPSR1 505/4885MCHR1 2147/4885

“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.