SCHEMBL3712337

SCHEMBL3712337

N=C(NO)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.60
POLB P06746 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
XBP1 P17861 1/20 0.60
HTT P42858 4/20 0.58
TSHR P16473 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.55
PHGDH O43175 2/20 0.55
ALOX12 P18054 1/20 0.55
RECQL P46063 1/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55

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
SCHEMBL8337982 0.84 LMNA (0.74) LMNAPOLBMEN1KMT2AXBP1
SCHEMBL28226906 0.82 ALDH1A1 (0.77) LMNAPOLBMEN1KMT2AXBP1
SCHEMBL10790246 0.81 LMNA (0.58) LMNAPOLBMEN1KMT2AXBP1
SCHEMBL27896818 0.80 LMNA (0.71) LMNAPOLBMEN1KMT2AXBP1
SCHEMBL631027 0.78 LMNA (0.70) LMNAPOLBMEN1KMT2AHTT
SCHEMBL13536326 0.78 LMNA (0.59) LMNAPOLBMEN1KMT2AXBP1
SCHEMBL7295918 0.77 ALDH1A1 (0.66) LMNAPOLBMEN1KMT2AXBP1
SCHEMBL1464081 0.77 LMNA (0.67) LMNAPOLBMEN1KMT2AXBP1
SCHEMBL13923614 0.77 LMNA (0.67) LMNAPOLBMEN1KMT2AHTT
SCHEMBL6256297 0.77 LMNA (0.71) LMNAPOLBMEN1KMT2AHTT

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
EP-2398796-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-12-28 EP disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 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-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY LMNA 1067/4885POLB 2586/4885MEN1 4582/4885

“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.