SCHEMBL15748847

SCHEMBL15748847

Cc1nn2c(N)c(C(=O)O)nnc2c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 8/20 0.55
MAPT P10636 6/20 0.52
THRB P10828 1/20 0.51
KMO O15229 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HCRTR1 O43613 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17192441 0.89 MAP3K14 (0.50) MAP3K14MAPTTHRBALDH1A1KDM4E
SCHEMBL15748777 0.88 MAPT (0.56) MAP3K14MAPTTHRBKMO
SCHEMBL15748812 0.87 MAPT (0.60) MAPTTHRBALDH1A1KDM4EHPGD
SCHEMBL15748958 0.86 MAPT (0.72) MAP3K14MAPTTHRBALDH1A1KDM4E
SCHEMBL15748811 0.82 MAPT (0.55) MAP3K14MAPTTHRBALDH1A1KDM4E
SCHEMBL17192447 0.81 MAPT (0.54) MAP3K14MAPTTHRBLMNA
SCHEMBL17192453 0.80 MAPT (0.55) MAP3K14MAPTTHRBKDM4ELMNA
SCHEMBL17192436 0.80 MAPT (0.51) MAP3K14MAPTTHRBALDH1A1MEN1
SCHEMBL15748815 0.78 MAPT (0.53) MAP3K14MAPTTHRBKDM4ELMNA
SCHEMBL15748810 0.78 MAPT (0.53) MAP3K14MAPTTHRBKDM4EKMT2A

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-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
WO-2014081820-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2014-05-30 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-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC26A4 MAP3K14 3729/4885MAPT 4258/4885THRB 2036/4885

“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.