SCHEMBL10031422

SCHEMBL10031422

C/C=C/C(C)=C/C=N/c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
KMT2A Q03164 7/20 0.35
ALDH1A1 P00352 8/20 0.34
MAPT P10636 7/20 0.34
MEN1 O00255 5/20 0.34
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 3/20 0.34
TSHR P16473 1/20 0.33
S100B P04271 1/20 0.33
POLB P06746 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10064354 0.84 NOS1 (0.39) NOS3NOS1KMT2AALDH1A1MAPT
SCHEMBL13593168 0.82 KMT2A (0.37) NOS3NOS1KMT2AALDH1A1MAPT
SCHEMBL10064564 0.78 KMT2A (0.55) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL13790518 0.78 KMT2A (0.55) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL20683237 0.77 ALDH1A1 (0.37) KMT2AALDH1A1MAPTMEN1KDM4E
Hydrochloric Acid SCHEMBL3910252 0.77 KMT2A (0.54) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL13035384 0.73 NOS3 (0.39) NOS3NOS1KMT2AALDH1A1MAPT
SCHEMBL22861519 0.71 KMT2A (0.50) NOS3NOS1KMT2AALDH1A1MAPT
SCHEMBL29858016 0.71 KMT2A (0.50) NOS3NOS1KMT2AALDH1A1MAPT
SCHEMBL25850101 0.71 KMT2A (0.50) NOS3NOS1KMT2AALDH1A1MAPT

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-8110597-B2 Radioactive isotope-labeled dye compound FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
US-20110263872-A1 RADIOACTIVE ISOTOPE-LABELED DYE COMPOUND FUJIFILM CORPORATION (JP) 2011-10-27 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-20110263872-A1 RADIOACTIVE ISOTOPE-LABELED DYE COMPOUND IK, PRMT1, PRMT3 NOS3 303/4885NOS1 282/4885KMT2A 1051/4885

“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.