SCHEMBL17614601

SCHEMBL17614601

COc1nc(C)ccc1-c1cccc(OCc2c(C)cccc2-n2nnn(C)c2=O)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
HTR7 P34969 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL16206068 0.93 BRD9 (0.36) HTR7
SCHEMBL17614605 0.91 GRM5 (0.32) HTR7
SCHEMBL16206069 0.89 ELANE (0.37) NPC1RAB9AHTR7
SCHEMBL17614607 0.88 PDE10A (0.33) HTR7
SCHEMBL16206170 0.88 MDM2 (0.32) TP53HTR7
SCHEMBL17614606 0.86 TLR8 (0.36) HTR7
SCHEMBL16206168 0.86 MAOB (0.32) HTR7
SCHEMBL17614604 0.85 HTR7 (0.31) HTR7
SCHEMBL16205963 0.85 GRM2 (0.37) SMN1; SMN2TP53HPGDHTR7KDM4E
SCHEMBL16206067 0.85 IL6 (0.38)

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 NPC1 4029/4885RAB9A 1882/4885SMN1; SMN2 2032/4885

“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.