SCHEMBL3172877

SCHEMBL3172877

CS(=O)(=O)NCCNc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
PIN1 Q13526 8/20 0.49
STK17A Q9UEE5 1/20 0.45
GAA P10253 1/20 0.44
PRKCQ Q04759 2/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1917009 0.81 STK17A (0.72) MAPTPOLBSMN1; SMN2PKMSTK17A
SCHEMBL2061728 0.81 POLB (0.54) MAPTPOLBSMN1; SMN2PKMSTK17A
SCHEMBL12876599 0.80 L3MBTL1 (0.71) MAPTPOLBPKML3MBTL1PIN1
SCHEMBL3158536 0.80 PIN1 (0.55) MAPTPOLBSMN1; SMN2PKML3MBTL1
SCHEMBL1918606 0.80 PIN1 (0.49) MAPTL3MBTL1PIN1STK17APRKCQ
SCHEMBL1804900 0.79 PIN1 (0.57) MAPTL3MBTL1PIN1STK17APRKCQ
SCHEMBL4191611 0.79 L3MBTL1 (0.66) MAPTL3MBTL1PIN1STK17AGAA
SCHEMBL14941801 0.79 PIN1 (0.51) MAPTL3MBTL1PIN1STK17APRKCQ
SCHEMBL3182626 0.79 PRKCQ (0.50) MAPTPOLBSMN1; SMN2PKMSTK17A
SCHEMBL5155732 0.77 L3MBTL1 (0.53) MAPTSMN1; SMN2L3MBTL1PIN1STK17A

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 5 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
EP-2131844-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV Therapeutics Inc. (US) 2009-12-16 EP disclosed
WO-2008123891-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 WO 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 MAPT 3976/4885POLB 2581/4885SMN1; SMN2 3378/4885
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY MAPT 3976/4885POLB 2581/4885SMN1; SMN2 3378/4885

“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.