SCHEMBL10246416

SCHEMBL10246416

COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
RECQL P46063 1/20 0.65
POLB P06746 1/20 0.58
MAPT P10636 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
ALOX5 P09917 3/20 0.53
P2RX1 P51575 1/20 0.52
CASP3 P42574 1/20 0.52
PTPN11 Q06124 1/20 0.51
P2RY2 P41231 1/20 0.50
GPR17 Q13304 1/20 0.50

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
SCHEMBL2722128 0.89 MEN1 (0.73) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL8380032 0.87 POLB (0.69) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL8374386 0.81 MEN1 (0.64) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL710603 0.80 LMNA (0.57) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL10246413 0.79 KDM4E (0.59) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL18496690 0.79 MEN1 (0.60) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL29727627 0.79 MEN1 (0.60) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL229926 0.79 MEN1 (0.57) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL27484718 0.79 POLB (0.55) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL9799681 0.78 MEN1 (0.79) MEN1KMT2APOLBMAPTSMN1; SMN2

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 3851/4885RECQL 4326/4885

“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.