SCHEMBL5416401

SCHEMBL5416401

O=C(/C(=C/c1cccnc1)c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 4/20 0.44
CYP11B2 P19099 2/20 0.44
CYP11B1 P15538 1/20 0.44
RAB9A P51151 5/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
G6PD P11413 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 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
SCHEMBL5416414 1.00 MAPT (0.53) MAPTKDM4EKMT2ACYP11B2CYP11B1
SCHEMBL5420129 0.83 MAPT (0.58) MAPTKDM4EKMT2ACYP11B2CYP11B1
SCHEMBL5420133 0.83 MAPT (0.58) MAPTKDM4EKMT2ACYP11B2CYP11B1
SCHEMBL14562239 0.79 MAPT (0.55) MAPTKDM4EKMT2ACYP11B2CYP11B1
SCHEMBL9509599 0.73 MAPT (0.59) MAPTKDM4EKMT2ACYP11B2CYP11B1
SCHEMBL9509602 0.73 MAPT (0.59) MAPTKDM4EKMT2ACYP11B2CYP11B1
SCHEMBL589209 0.72 AKR1C1 (0.63) MAPTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL6250582 0.72 CYP19A1 (0.53) MAPTKDM4EKMT2ACYP11B2RAB9A
SCHEMBL6250579 0.72 CYP19A1 (0.53) MAPTKDM4EKMT2ACYP11B2RAB9A
SCHEMBL9835080 0.71 AKR1C1 (0.68) MAPTKDM4EKMT2ACYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 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 (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-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 MAPT 3598/4885KDM4E 722/4885KMT2A 1235/4885

“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.