SCHEMBL9976374

SCHEMBL9976374

[C-]#[N+]CC(=O)NC(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
TP53 P04637 1/20 0.55
EPHX1 P07099 1/20 0.55
TSHR P16473 1/20 0.55
CDK9 P50750 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL12366123 0.85 EPHX2 (0.57) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL10401175 0.78 SMN1; SMN2 (0.80) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL17570609 0.78 EPHX2 (0.59) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11541521 0.78 SMN1; SMN2 (0.59) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11587805 0.78 GAA (0.62) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL12366200 0.77 ALDH1A1 (0.62) EPHX2TP53SMN1; SMN2KMT2AMEN1
SCHEMBL8428905 0.74 SMN1; SMN2 (0.73) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL12366106 0.74 ALOX5 (0.58) TSHRSMN1; SMN2GAAALDH1A1CYP2C19
SCHEMBL2710556 0.74 SMN1; SMN2 (0.53) EPHX2TP53EPHX1TSHRCDK9
Diphenylurea SCHEMBL133103 0.73 SMN1; SMN2 (1.00) EPHX2TP53EPHX1TSHRCDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-06-21 US 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-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS WNT1, WNT3, WNT3A EPHX2 1236/4885TP53 41/4885EPHX1 716/4885

“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.