SCHEMBL15748799

SCHEMBL15748799

Cc1c(C(=O)O)nnc2c(-c3ccccc3)c(-c3ccccc3)nn12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 3/20 0.46
THRB P10828 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.41
PTGER1 P34995 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 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
SCHEMBL15748789 0.88 MAPT (0.58) MAPTMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3656568 0.80 BRAF (0.51) MAPTMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL15748794 0.76 MAPT (0.72) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL15748805 0.73 MAPT (0.42) MAPTMAPK1ALDH1A1SMN1; SMN2POLB
SCHEMBL15748867 0.72 MAPT (0.52) MAPTRXFP1THRBGLAKDM4E
SCHEMBL23657561 0.72 MAPT (0.57) MAPTMAPK1ALDH1A1SMN1; SMN2THRB
SCHEMBL15748866 0.71 MAPT (0.57) MAPTMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL15748801 0.71 MAPT (0.62) MAPTMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL15748823 0.71 MAPT (0.54) MAPTKMT2APOLBTHRBGLA
SCHEMBL15748959 0.71 MAPT (0.54) MAPTMAPK1ALDH1A1SMN1; SMN2THRB

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 MAPT 4258/4885MAPK1 3316/4885ALDH1A1 3475/4885

“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.