SCHEMBL17614564

SCHEMBL17614564

Cc1cccc(-c2ccnc(OCc3c(C)cccc3-n3nnn(C)c3=O)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.41
PIK3CA P42336 5/20 0.38
RXRA P19793 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRM2 Q14416 1/20 0.35
BRD4 O60885 1/20 0.35
CDK9 P50750 1/20 0.35
XDH P47989 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CAMK2D Q13557 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL16206052 0.91 RXRA (0.35) KMOPIK3CARXRAGRIN1GRIN2B
SCHEMBL16206042 0.91 PIK3CA (0.38) PIK3CABRD4CDK9ADORA2AADORA1
SCHEMBL17614565 0.90 PIK3CA (0.35) PIK3CARXRAGRIN1GRIN2BGRM2
SCHEMBL17614566 0.87 MEN1 (0.37) KMOPIK3CARXRAGRIN1GRIN2B
SCHEMBL17614527 0.87 GRM2 (0.36) KMOGRM2BRD4CDK9XDH
SCHEMBL17615146 0.86 ROCK2 (0.38) PIK3CAKDM4ENPC1
SCHEMBL17614560 0.86 KMO (0.35) KMOGRIN1GRIN2BGRM2XDH
SCHEMBL17804252 0.85 GRM2 (0.37) KMOGRM2XDHNPC1RAB9A
SCHEMBL17614563 0.83 TDP2 (0.34) KMOJMJD6
SCHEMBL16425490 0.82 ATP4A (0.35) KMOGRM2XDHKDM4ENPC1

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-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 KMO 1060/4885PIK3CA 4099/4885RXRA 1300/4885

“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.