SCHEMBL2925534

SCHEMBL2925534

O=c1cc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 2/20 0.51
NPBWR1 P48145 1/20 0.51
MCHR1 Q99705 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46

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
SCHEMBL2924655 0.82 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2925554 0.82 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2926168 0.82 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL2926987 0.82 SIGMAR1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2920552 0.81 CTSB (0.56) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL15800712 0.79 ALDH1A1 (0.78) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL13809921 0.79 DRD2 (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2915420 0.79 MEN1 (0.61) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL2918926 0.76 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EABCB1
SCHEMBL2924810 0.76 SIGMAR1 (0.51) LMNASMN1; SMN2POLBFAAH

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 13 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
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO claimed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP 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 (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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 MEN1 4834/4885KMT2A 2711/4885GAA 279/4885

“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.