SCHEMBL4472112

SCHEMBL4472112

N#Cc1ccc2nnnnc2c1C#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 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
SCHEMBL28053897 0.73 GRM2 (0.37) SMN1; SMN2HIF1AALDH1A1KDM4EHTT
SCHEMBL7061881 0.71 MAPT (0.39) SMN1; SMN2HIF1AALDH1A1KDM4ELMNA
SCHEMBL31399295 0.69 TSHR (0.39) SMN1; SMN2HIF1AALDH1A1KDM4ELMNA
SCHEMBL152358 0.69 TSHR (0.39) SMN1; SMN2HIF1AALDH1A1KDM4ELMNA
SCHEMBL30494452 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL6000039 0.69 KDM4E (0.50) SMN1; SMN2ALDH1A1KDM4ERXFP1LMNA
SCHEMBL29186667 0.68 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL5038700 0.67 KDM4E (0.36) SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL28645922 0.65 SMN1; SMN2 (0.31) SMN1; SMN2HIF1A
SCHEMBL29229942 0.65 KCNMA1 (0.33) SMN1; SMN2HIF1A

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-8268457-B2 Organic electroluminescent device and material for organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2012-09-18 US disclosed
US-20090167167-A1 Organic electroluminescent device and material for organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2009-07-02 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-20090167167-A1 Organic electroluminescent device and material for organic electroluminescent device ELAVL1, L1CAM, OR10J3 SMN1; SMN2 1449/4885HIF1A 4876/4885ALDH1A1 347/4885

“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.