SCHEMBL1463053

SCHEMBL1463053

O=C(Nc1ccc(-c2ccccc2)cc1-c1nnn[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HDAC2 Q92769 2/20 0.46
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 1/20 0.43
P2RX1 P51575 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.41
TACR1 P25103 1/20 0.41
GPR35 Q9HC97 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
ADCY1 Q08828 1/20 0.40
HDAC1 Q13547 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
SCHEMBL2890988 0.94 HDAC2 (0.45) ACLYALDH1A1HDAC2RXFP1TP53
SCHEMBL5476434 0.85 P2RX1 (0.48) HDAC2RXFP1P2RX1MAPT
SCHEMBL3330308 0.84 DDR1 (0.38) ACLYHDAC2RXFP1GPR35
SCHEMBL5471427 0.81 RXFP1 (0.50) RXFP1MAPT
SCHEMBL3579491 0.80 PSEN1 (0.47) MAPT
SCHEMBL3570022 0.80 KDR (0.45) MAPT
SCHEMBL5471360 0.80 RXFP1 (0.52) RXFP1MAPT
SCHEMBL3329633 0.80 RHOC (0.39) ACLYALDH1A1MAPTTACR1
SCHEMBL3580763 0.79 PSEN1 (0.45) P2RX1MAPT
SCHEMBL3581070 0.79 KIF11 (0.48)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS OLESEN SOEREN PETER 2011-03-24 US claimed
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP claimed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US claimed
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS OLESEN SOEREN PETER 2011-03-24 US disclosed
US-7851492-B2 ERG channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP disclosed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US disclosed
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP disclosed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO 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-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias KCNJ2, KCNN3, KCNE1 ACLY 1725/4885ALDH1A1 1486/4885HDAC2 1911/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 ACLY 1725/4885ALDH1A1 1486/4885HDAC2 1911/4885

“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.