SCHEMBL16987271

SCHEMBL16987271

COc1ccc(-c2ccc(-n3cc(C)c(C)n3)cc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
MAPKAPK2 P49137 4/20 0.45
CNR1 P21554 4/20 0.44
CNR2 P34972 3/20 0.43
GPR55 Q9Y2T6 2/20 0.43
GPR35 Q9HC97 1/20 0.43
LMNA P02545 2/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
RECQL P46063 1/20 0.40
CA1 P00915 2/20 0.39

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
SCHEMBL16987269 0.76 AKR1C3 (0.44) LMNASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL16911082 0.75 NPC1 (0.40) RAB9ALMNAPTGS1PTGS2KDM4E
SCHEMBL21084563 0.75 RAB9A (0.53) RAB9AMAPKAPK2CNR1SMN1; SMN2KDM4E
SCHEMBL16202085 0.74 NOTUM (0.47) RAB9ALMNASMN1; SMN2KDM4EHTT
SCHEMBL679848 0.74 SMN1; SMN2 (0.55) RAB9APTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL22073083 0.72 DYRK1A (0.52) RAB9APTGS2SMN1; SMN2KDM4ENPC1
SCHEMBL13140014 0.71 MEN1 (0.47) RAB9AMAPKAPK2MEN1KMT2ANPC1
SCHEMBL13118061 0.71 L3MBTL1 (0.50) RAB9AMAPKAPK2LMNASMN1; SMN2KDM4E
SCHEMBL12345146 0.71 ACHE (0.54) RAB9APTGS2SMN1; SMN2KDM4EKMT2A
SCHEMBL23402266 0.70 P2RX7 (0.47) RAB9AMAPKAPK2CNR1CNR2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900654-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-17 EP disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 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 (2 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-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYCS, MT-CO3, OXER1 RAB9A 1175/4885MAPKAPK2 4066/4885CNR1 248/4885
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYP51A1, TCOF1, DDT RAB9A 1692/4885MAPKAPK2 1921/4885CNR1 2753/4885

“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.