SCHEMBL2187783

SCHEMBL2187783

CC(C)(C)c1ccn(CO)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRN P28799 4/20 0.32
SORT1 Q99523 4/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
CSF1R P07333 1/20 0.30

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
SCHEMBL19557879 0.84 MAPK14 (0.38) SLC6A2SLC6A4SLC6A3GRNSORT1
SCHEMBL16422442 0.84 LMNA (0.35) KDM4ELMNA
SCHEMBL10222903 0.81 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL20464576 0.80 AR (0.35) SLC6A2SLC6A4SLC6A3GRNSORT1
SCHEMBL23583917 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL2185532 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3GRNSORT1
SCHEMBL2187271 0.79 LMNA (0.42) KDM4ELMNA
SCHEMBL13831236 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL12091518 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL18179475 0.78 RAF1 (0.36) SLC6A2SLC6A4SLC6A3GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710234-B1 MALONONITRILE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
EP-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 EP 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-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 SLC6A2 3536/4885SLC6A4 3675/4885SLC6A3 3470/4885

“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.