SCHEMBL3771478

SCHEMBL3771478

CC(C)(C)n1ncc(CO)c1-n1cccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 2/20 0.31
▸ VHL P40337 1/20 0.31
▸ ELOC Q15369 1/20 0.31
▸ ELOB Q15370 1/20 0.31

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
SCHEMBL2671106 0.74 PLA2G1B (0.35) MAPTSMN1; SMN2ALDH1A1
SCHEMBL3771468 0.70 SMN1; SMN2 (0.63) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL9703352 0.64 GABRB3 (0.43) MAPT
SCHEMBL23188723 0.63 TSHR (0.36) SMN1; SMN2ALDH1A1LMNAHTTMEN1
SCHEMBL23400603 0.62 GABRA1 (0.35) SMN1; SMN2ALDH1A1HTTMEN1HPGD
SCHEMBL23401895 0.60 HMGCR (0.31) SMN1; SMN2TP53
SCHEMBL2671285 0.60 PLA2G1B (0.35) —
SCHEMBL23401178 0.59 GABRA1 (0.37) —
SCHEMBL23401482 0.58 TYR (0.36) MAPTSMN1; SMN2HTTMEN1HPGD
SCHEMBL6612386 0.57 DRD3 (0.54) SMN1; SMN2ALDH1A1HTTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 — — EP disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 — — EP disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 — — EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 — — 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-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 MAPT 4148/4885SMN1; SMN2 982/4885ALDH1A1 2751/4885

“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.

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