SCHEMBL3179949

SCHEMBL3179949

CC(=O)NCCNc1nc(NCc2ccc(Cl)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 12/20 0.58
STK17A Q9UEE5 1/20 0.55
SIRT5 Q9NXA8 2/20 0.53
PKM P14618 1/20 0.48
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 1/20 0.45
MCL1 Q07820 1/20 0.45
PTK2B Q14289 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3180778 0.90 PRKCQ (0.58) PRKCQSTK17ASIRT5CYP1A2CYP3A4
SCHEMBL3183582 0.89 SIRT5 (0.65) PRKCQSIRT5CYP1A2CYP3A4CYP2C19
SCHEMBL3189351 0.89 PRKCQ (0.60) PRKCQSTK17ASIRT5
SCHEMBL3179956 0.88 PRKCQ (0.49) PRKCQSTK17ASIRT5CYP1A2CYP3A4
SCHEMBL1916510 0.88 STK17A (0.72) PRKCQSTK17ACYP1A2CYP3A4CYP2C19
SCHEMBL3190820 0.87 SIRT5 (0.49) PRKCQSTK17ASIRT5CYP1A2CYP3A4
SCHEMBL3182009 0.86 PRKCQ (0.49) PRKCQSTK17ASIRT5CYP1A2CYP3A4
SCHEMBL3186194 0.83 VNN1 (0.46) PRKCQSTK17ASIRT5PKM
SCHEMBL4387931 0.82 PRKCQ (0.67) PRKCQSTK17ASIRT5PKMCYP3A4
SCHEMBL5406390 0.82 PRKCQ (0.64) PRKCQSTK17APKMMEN1KMT2A

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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-7662819-B2 Pteridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD PALO ALTO, INC. (US) 2010-02-16 US disclosed
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS LIGAND PHARMACEUTICALS INCORPORATED 2008-10-09 US 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 (2 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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY PRKCQ 2198/4885STK17A 237/4885SIRT5 70/4885
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY PRKCQ 2198/4885STK17A 237/4885SIRT5 70/4885

“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.