SCHEMBL2915420

SCHEMBL2915420

O=c1cc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)nc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
POLB P06746 1/20 0.61
CASP1 P29466 1/20 0.60
CASP4 P49662 1/20 0.60
CASP5 P51878 1/20 0.60
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 7/20 0.55
ACHE P22303 1/20 0.49
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MITF O75030 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 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
SCHEMBL2919992 0.86 MEN1 (0.58) MEN1KMT2APOLBCASP1CASP4
SCHEMBL2923111 0.81 TRPC5 (0.51) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL2927721 0.81 CYP2A13 (0.45) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2925620 0.81 MPO (0.54) KMT2APOLBALDH1A1KDM4ELMNA
SCHEMBL2920552 0.80 CTSB (0.56) CASP1CASP4CASP5ALDH1A1KDM4E
SCHEMBL2916736 0.80 HTR7 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2925534 0.79 MEN1 (0.56) MEN1KMT2APOLBCASP1CASP4
SCHEMBL2919533 0.79 ALDH1A1 (0.51) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL12511057 0.78 ACHE (0.74) MEN1KMT2APOLBCASP1CASP4
SCHEMBL2926561 0.77 KDM4E (0.49) POLBALDH1A1KDM4EHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN claimed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP claimed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO claimed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US claimed
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2766000-A2 SCD1 ANTAGONISTS FOR TREATING CANCER F.HOFFMANN-LA ROCHE AG (CH) 2014-08-20 EP disclosed
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 US disclosed
WO-2013056148-A2 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 WO disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN disclosed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 MEN1 4834/4885KMT2A 2711/4885POLB 3147/4885
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS SCD, SELPLG, SCD5 MEN1 2643/4885KMT2A 4086/4885POLB 3892/4885

“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.