SCHEMBL17101062

SCHEMBL17101062

O=C(Nc1cnc(Br)cn1)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.45
POLB P06746 5/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL17101405 0.88 MAPT (0.60) MAPTSMN1; SMN2HTTPOLBKMT2A
SCHEMBL17101044 0.84 POLB (0.45) MAPTSMN1; SMN2HTTPOLBKMT2A
SCHEMBL17101100 0.84 ALDH1A1 (0.47) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL17101036 0.83 PTGS1 (0.42) SMN1; SMN2HTTKMT2AMEN1CYP3A4
SCHEMBL17101083 0.82 ABL1 (0.48) HTTPOLBALDH1A1LMNA
SCHEMBL17101086 0.78 WNT3A (0.50)
SCHEMBL17101124 0.76 ALDH1A1 (0.50) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL20855699 0.74 MEN1 (0.60) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL17101125 0.73 ALDH1A1 (0.47) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL16097836 0.73 KCNQ3 (0.49) MAPTSMN1; SMN2POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
US-20170107212-A1 NOVEL COMPOUNDS Bayer Pharma AG (DE) 2017-04-20 US disclosed
US-20170107212-A1 NOVEL COMPOUNDS Bayer Pharma AG (DE) 2017-04-20 US disclosed
EP-3119787-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 EP disclosed
EP-3119759-A1 NOVEL COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 EP disclosed
WO-2015140195-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 WO disclosed
WO-2015140196-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 WO disclosed
WO-2015140195-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 WO disclosed
WO-2015140196-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 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-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS WNT1, WNT3A, CTNNB1 MAPT 2002/4885SMN1; SMN2 3484/4885HTT 2314/4885
US-20170107212-A1 NOVEL COMPOUNDS WNT1, CTNNB1, WNT3A MAPT 2042/4885SMN1; SMN2 2586/4885HTT 2082/4885

“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.