SCHEMBL16385286

SCHEMBL16385286

COc1ccc(-c2ncccc2C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
KDM4E B2RXH2 6/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 5/20 0.43
SRC P12931 4/20 0.42
SQOR Q9Y6N5 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABL1 P00519 1/20 0.42
HPGD P15428 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL10094711 0.90 NPC1 (0.51) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL16385163 0.86 NPC1 (0.45) NPC1RAB9APDGFRBPDGFRAKDM4E
SCHEMBL3782977 0.86 ALDH1A1 (0.52) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL16385223 0.86 SRC (0.45) NPC1RAB9APDGFRBPDGFRAKDM4E
SCHEMBL16385221 0.86 NPC1 (0.45) NPC1RAB9APDGFRBPDGFRAKDM4E
SCHEMBL16385152 0.81 PDGFRB (0.54) NPC1RAB9APDGFRBPDGFRAKDM4E
SCHEMBL13813613 0.80 SYK (0.56) CYP2A6NPC1RAB9APDGFRBKDM4E
SCHEMBL10094679 0.79 CYP2A6 (0.51) CYP2A6RAB9AKDM4EMAPTALDH1A1
SCHEMBL16385280 0.79 PTGS2 (0.49) NPC1RAB9APDGFRBPDGFRAKDM4E
SCHEMBL935169 0.77 ALDH1A1 (0.67) CYP2A6NPC1RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 WO 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-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 CYP2A6 216/4885NPC1 3560/4885RAB9A 533/4885

“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.