SCHEMBL3764283

SCHEMBL3764283

CCSc1ncc(CO)n1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 3/20 0.40
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14594783 0.85 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6749949 0.81 NPC1 (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14028404 0.75 RAB9A (1.00) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL12531412 0.75 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3767042 0.74 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14028403 0.72 MEN1 (1.00) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13114031 0.71 SMN1; SMN2 (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13114033 0.71 NPC1 (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL12529538 0.71 RAB9A (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10288448 0.71 CYP2C19 (0.44) ALDH1A1NPC1RAB9AMEN1KMT2A

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 5 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-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

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 ALDH1A1 2751/4885NPC1 4719/4885RAB9A 3163/4885

“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.