SCHEMBL537486

SCHEMBL537486

COC(=O)c1ccnc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
GAA P10253 2/20 0.49
POLB P06746 2/20 0.46
HIF1A Q16665 1/20 0.45
ATM Q13315 1/20 0.45
MGLL Q99685 2/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL17831407 0.82 KMT2A (0.51) KMT2AMAPTMEN1GAAPOLB
SCHEMBL10090771 0.80 HTT (0.62) KMT2AMAPTMEN1GAAPOLB
SCHEMBL16637730 0.79 RAB9A (0.46) KMT2AMAPTMEN1GAAPOLB
SCHEMBL132757 0.79 MEN1 (0.65) KMT2AMAPTMEN1GAAPOLB
SCHEMBL4330869 0.78 GCK (0.55) KMT2AMAPTMEN1GAAPOLB
SCHEMBL17202794 0.78 KDM4E (0.55) KMT2AMAPTMEN1HIF1AHPGD
SCHEMBL2477935 0.78 NPC1 (0.57) KMT2AMAPTMEN1MGLLHPGD
SCHEMBL1096987 0.77 GAA (0.74) KMT2AMAPTMEN1GAAPOLB
SCHEMBL1097040 0.77 GAA (0.58) KMT2AMAPTMEN1GAAPOLB
SCHEMBL2032563 0.77 GAA (0.64) KMT2AMAPTMEN1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 KMT2A 3253/4885MAPT 4672/4885MEN1 4848/4885

“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.