SCHEMBL16680651

SCHEMBL16680651

Cc1ccc(NC(=O)c2nnc(-c3cc(S(=O)(=O)N4CCOCC4)c(O)cc3O)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 9/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 5/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
GAA P10253 2/20 0.51
MAPK1 P28482 4/20 0.48
USP2 O75604 3/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.48
TP53 P04637 2/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
F2 P00734 1/20 0.45
CNR2 P34972 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL501048 0.69 ALDH1A1 (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL16085419 0.68 GAA (1.00) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL13532172 0.67 KMT2A (0.76) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL12793391 0.67 GAA (0.79) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL16680653 0.65 MAPK1 (0.46) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL4258322 0.63 SMN1; SMN2 (0.82) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL492472 0.62 KMT2A (0.67) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL19683221 0.62 ENPP2 (0.73) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL491964 0.62 KMT2A (0.72) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL17502107 0.61 KMT2A (0.65) SMN1; SMN2MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 SMN1; SMN2 4644/4885MAPT 2725/4885MEN1 4432/4885

“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.