SCHEMBL1788558

SCHEMBL1788558

Nn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.59
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALOX15 P16050 1/20 0.44
LGALS8 O00214 1/20 0.42
ENPP1 P22413 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 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
SCHEMBL1788116 0.86 ALDH1A1 (0.57) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1789226 0.84 NPSR1 (0.64) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1786845 0.84 NPSR1 (0.56) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1791327 0.84 SMN1; SMN2 (0.61) ALDH1A1GAASMN1; SMN2HPGDRAB9A
SCHEMBL8865071 0.81 HPGD (0.67) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1785806 0.80 KDM4E (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1786120 0.80 NPSR1 (0.46) NPSR1ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL1787410 0.80 NPSR1 (0.62) NPSR1ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL19675302 0.79 NPSR1 (0.42) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7892186 0.77 TBXAS1 (0.46) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9

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 NPSR1 505/4885ALDH1A1 1644/4885CYP1A2 1589/4885

“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.