SCHEMBL5416124

SCHEMBL5416124

Cc1ccc(NC(N)=[Se])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
DDAH1 O94760 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5705176 0.87 TDP1 (0.45) KIF11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5705035 0.80 TDP1 (0.56) KIF11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL81433 0.76 KIF11 (0.88) KIF11TDP1DDAH1POLBKDM4E
SCHEMBL1278440 0.76 ALDH1A1 (0.61) KIF11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL166139 0.76 KIF11 (0.55) KIF11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12824893 0.76 KIF11 (0.55) KIF11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10793021 0.75 ALDH1A1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5478555 0.74 KIF11 (0.53) KIF11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10882395 0.74 ALDH1A1 (0.59) KIF11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9725052 0.74 KMT2A (0.53) KIF11GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176164-B2 1,3-selenazolin derivatives and process for preparing the same GIFU UNIVERSITY (JP) 2007-02-13 US disclosed
US-20030158239-A1 Novel 1,3-selenazolin derivatives and process for preparing the same GIFU UNIVERSITY (JP) 2003-08-21 US disclosed
EP-1323714-A1 1,3-selenazole derivatives and their use as anticancer drugs or as agrochemicals President of Gifu University (JP) 2003-07-02 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-20030158239-A1 Novel 1,3-selenazolin derivatives and process for preparing the same SELENOI, SCLY, SULT1A1 KIF11 3433/4885GRIN2D 3867/4885GRIN3B 3935/4885

“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.