SCHEMBL10246590

SCHEMBL10246590

COC(=O)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.50
PLAU P00749 1/20 0.49
LMNA P02545 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.47
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
VCAM1 P19320 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL1353032 0.85 MEN1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL10246587 0.83 PLAU (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL25250478 0.79 MAPT (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL31311058 0.79 TMPRSS4 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL1663714 0.78 MEN1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4958960 0.78 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL2833360 0.77 NPC1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2PLAU
SCHEMBL31311144 0.77 NPC1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2PLAU
SCHEMBL4753199 0.77 VCAM1 (0.60) ALDH1A1KMT2AGAALMNAGLA
SCHEMBL10246421 0.75 MEN1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 ALDH1A1 4185/4885MEN1 3294/4885KMT2A 3851/4885

“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.