SCHEMBL5533137

SCHEMBL5533137

COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.54
MDM2 Q00987 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL11683221 0.94 BRAF (0.53) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL10246421 0.90 MEN1 (0.59) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11690054 0.87 TDP1 (0.57) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL11683094 0.84 TDP1 (0.53) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL11683829 0.84 ALDH1A1 (0.60) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL1353032 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1315721 0.81 TDP1 (0.59) ALDH1A1CYP3A4TDP1MAPTPOLB
SCHEMBL28566263 0.80 WDR5 (0.60) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL559830 0.80 VCAM1 (0.64) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL30525281 0.80 VCAM1 (0.64) MEN1KMT2AALDH1A1LMNAMAPT

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.