SCHEMBL17101124

SCHEMBL17101124

O=C(Nc1ncc(-c2ccccc2)cn1)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ABCB1 P08183 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
WNT3A P56704 4/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABL1 P00519 1/20 0.43
ABCC1 P33527 1/20 0.43

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
SCHEMBL17101125 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1ABCB1
SCHEMBL17101100 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1ABCB1
SCHEMBL17101122 0.83 WNT3A (0.47) WNT3AABL1
SCHEMBL16129644 0.81 TDP1 (0.54) ALDH1A1CYP3A4TSHRTDP1ABCB1
SCHEMBL16099278 0.79 WNT3A (0.57) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL17101069 0.79 WNT3A (0.59) WNT3A
SCHEMBL17101083 0.77 ABL1 (0.48) ALDH1A1ABCB1POLBABL1ABCC1
SCHEMBL17101405 0.76 MAPT (0.60) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL17101062 0.76 MAPT (0.46) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL2345173 0.75 CASP6 (0.58) TSHRMEN1KMT2AMAPT

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-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
EP-3119787-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 EP disclosed
WO-2015140196-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS 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 (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-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS WNT1, WNT3A, CTNNB1 ALDH1A1 2475/4885CYP3A4 3978/4885TSHR 4484/4885

“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.