SCHEMBL538886

SCHEMBL538886

COC(=O)c1cncc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ GAA P10253 3/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MGLL Q99685 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ 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
SCHEMBL132757 0.83 MEN1 (0.65) MAPTGAAKMT2AMEN1POLB
SCHEMBL24755701 0.83 CYP1A2 (0.57) MAPTGAAHPGDKMT2AMEN1
SCHEMBL1532758 0.82 MAPT (0.60) MAPTGAAHPGDKMT2AMEN1
SCHEMBL3062600 0.80 POLB (0.49) MAPTGAAHPGDKMT2AMEN1
SCHEMBL2885990 0.79 MAPT (0.56) MAPTGAAHPGDKMT2AMEN1
SCHEMBL17831407 0.78 KMT2A (0.51) MAPTGAAKMT2AMEN1POLB
SCHEMBL537486 0.77 KMT2A (0.54) MAPTGAAHPGDKMT2AMEN1
SCHEMBL976043 0.77 POLB (0.68) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL3573967 0.77 MAPT (0.66) MAPTGAAKMT2AMEN1ATM
SCHEMBL8647443 0.76 KMT2A (0.62) MAPTGAAKMT2AMEN1ATM

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 MAPT 4672/4885GAA 1280/4885HPGD 316/4885

“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.

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