SCHEMBL10041279

SCHEMBL10041279

[C-]#[N+]c1cc(C#N)c(-n2c(C(C)(C)C)nc3ccccc32)cc1-n1c(C(C)(C)C)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.39
CNR2 P34972 2/20 0.34
RPS6KB1 P23443 1/20 0.34
ROCK1 Q13464 1/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 3/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
XBP1 P17861 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
SCHEMBL10041278 0.74 TSHR (0.41) SLC22A12CNR2RPS6KB1ROCK1TSHR
SCHEMBL10041282 0.73 SLC22A12 (0.41) SLC22A12CNR2RPS6KB1TSHRKDM4E
SCHEMBL10041280 0.71 MAPK1 (0.41) SLC22A12TSHRKDM4ESMN1; SMN2NPSR1
SCHEMBL63683 0.70 SLC22A12 (0.46) SLC22A12CNR2RPS6KB1TSHRKDM4E
SCHEMBL25878270 0.68 CNR2 (0.54) SLC22A12CNR2TSHRKDM4ESMN1; SMN2
SCHEMBL14124486 0.68 TSHR (0.45) SLC22A12CNR2TSHRKDM4ESMN1; SMN2
SCHEMBL14124469 0.68 TSHR (0.45) SLC22A12CNR2TSHRKDM4ESMN1; SMN2
SCHEMBL26506716 0.68 HTR1D (0.32)
SCHEMBL13912249 0.67
SCHEMBL23840293 0.66 ADORA2A (0.40) SLC22A12CNR2TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 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-20070202357-A1 Organic electroluminescent element and compounds for use in the element RPL31, RPL38, RPL39 SLC22A12 871/4885CNR2 3289/4885RPS6KB1 2238/4885

“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.