SCHEMBL18005807

SCHEMBL18005807

N#Cc1[nH]nnc1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.45
GRIN2B Q13224 6/20 0.45
SRD5A2 P31213 1/20 0.41
LTA4H P09960 2/20 0.40
P2RX3 P56373 1/20 0.40
ERBB2 P04626 1/20 0.40
NPC1 O15118 1/20 0.38
SCN4A P35499 1/20 0.38
RAB9A P51151 1/20 0.38
NAAA Q02083 1/20 0.37
FAAH O00519 1/20 0.37
CES1 P23141 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL18005802 0.86 PARP1 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26070491 0.79 P2RX3 (0.47) GRIN1GRIN2BSRD5A2LTA4HP2RX3
SCHEMBL17969160 0.77 ERBB2 (0.55) LTA4HERBB2NPC1SCN4ARAB9A
SCHEMBL18005953 0.75 ERBB2 (0.54) LTA4HERBB2NPC1SCN4ARAB9A
SCHEMBL18005809 0.73 MAOB (0.49)
SCHEMBL18006510 0.72 PARP1 (0.41) NPC1RAB9ANAAASMN1; SMN2
SCHEMBL18006513 0.72 TSHR (0.47) NPC1RAB9ANAAASMN1; SMN2
SCHEMBL1249608 0.70 MEN1 (0.42) P2RX3ERBB2NAAAMEN1KMT2A
SCHEMBL18006046 0.70 ERBB2 (0.45) LTA4HERBB2NPC1SCN4ARAB9A
SCHEMBL8534048 0.70 GRIN1 (0.52) GRIN1GRIN2BSRD5A2LTA4HP2RX3

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 GRIN1 821/4885GRIN2B 1294/4885SRD5A2 937/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 GRIN1 821/4885GRIN2B 1294/4885SRD5A2 937/4885

“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.