SCHEMBL537509

SCHEMBL537509

COC(=O)c1cccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MGLL Q99685 2/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.44
ATM Q13315 1/20 0.43
SORT1 Q99523 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41

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 0.76 KMT2A (0.51) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL2477935 0.76 NPC1 (0.57) ALDH1A1NPC1RAB9AMGLLKMT2A
SCHEMBL537486 0.75 KMT2A (0.54) GAAALDH1A1MGLLKMT2AMAPT
SCHEMBL132757 0.75 MEN1 (0.65) GAAALDH1A1NPC1RAB9AKMT2A
SCHEMBL29656505 0.75 MGLL (0.46) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL24218417 0.73 ALDH1A1 (0.64) GAAKDM4EALDH1A1KMT2AMAPT
SCHEMBL537548 0.73 CNR2 (0.49) GAAKDM4EALDH1A1RAB9AMGLL
SCHEMBL3080087 0.72 RAB9A (0.67) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL3573967 0.72 MAPT (0.66) GAAALDH1A1NPC1RAB9AMGLL
SCHEMBL28542399 0.72 KDM4E (0.70) GAAKDM4EALDH1A1NPC1RAB9A

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 GAA 1280/4885KDM4E 1529/4885ALDH1A1 737/4885

“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.