SCHEMBL2697384

SCHEMBL2697384

O=C(O)/C=C/CNC1CCCCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
DPP7 Q9UHL4 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EPHX1 P07099 5/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8916490 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1HTTGAADPP7
SCHEMBL2697385 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1HTTGAADPP7
SCHEMBL15739458 0.90 POLB (0.47) SMN1; SMN2NPC1HTTGAAHTR2A
SCHEMBL29185139 0.90 POLB (0.47) SMN1; SMN2NPC1HTTGAAHTR2A
SCHEMBL24337552 0.80 EPHX1 (0.40) SMN1; SMN2NPC1HTTGAADPP7
SCHEMBL20261888 0.80 NPSR1 (0.42) SMN1; SMN2NPC1HTTGAADPP7
SCHEMBL10181124 0.80 NPSR1 (0.42) SMN1; SMN2NPC1HTTGAADPP7
SCHEMBL30039829 0.78 HTR2A (0.37) SMN1; SMN2NPC1HTTGAAHTR2A
SCHEMBL7569537 0.75 DPP7 (0.48) SMN1; SMN2NPC1HTTDPP7KDM4E
SCHEMBL31269358 0.75 HTR2A (0.35) SMN1; SMN2NPC1HTTGAAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 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-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use CYCS, CYC1, CBR1 SMN1; SMN2 3409/4885NPC1 856/4885HTT 257/4885

“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.