SCHEMBL10246421

SCHEMBL10246421

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 5/20 0.54
HSP90AA1 P07900 1/20 0.53
GAA P10253 1/20 0.53
GLA P06280 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL5533137 0.90 MEN1 (0.57) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL29269275 0.86 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL11683221 0.85 BRAF (0.53) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL4858061 0.85 KMT2A (0.67) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL1662861 0.84 NPC1 (0.58) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL19893787 0.82 KMT2A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3606953 0.81 SMN1; SMN2 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4958960 0.81 ALDH1A1 (0.77) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL1663288 0.81 KCNMA1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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 MEN1 3294/4885KMT2A 3851/4885ALDH1A1 4185/4885

“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.