SCHEMBL15470601

SCHEMBL15470601

C/C(=N\OCCCc1cccc(-c2ccncn2)n1)c1cccc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.35
HSP90AA1 P07900 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
TGFBR1 P36897 1/20 0.30

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
SCHEMBL5020379 0.88 SMN1; SMN2 (0.40) TBXA2RHSP90AA1CYP4F2CYP4A11NPC1
SCHEMBL5020366 0.88 CCR1 (0.41) HSP90AA1CYP4F2CYP4A11NPC1LMNA
SCHEMBL5020217 0.87 HSP90AA1 (0.34) HSP90AA1CYP4F2CYP4A11NPC1LMNA
SCHEMBL5020444 0.85 NPC1 (0.36) TBXA2RHSP90AA1CYP4F2CYP4A11NPC1
SCHEMBL5020448 0.84 HSP90AA1 (0.34) HSP90AA1CYP4F2CYP4A11NPC1LMNA
SCHEMBL5020449 0.84 MEN1 (0.37) TBXA2RCYP4F2CYP4A11NPC1LMNA
SCHEMBL5020377 0.83 HSP90AA1 (0.34) TBXA2RHSP90AA1CYP4F2CYP4A11NPC1
SCHEMBL5020445 0.82 GABRA1 (0.37) HSP90AA1CYP4F2CYP4A11
SCHEMBL5020446 0.81 PIK3CA (0.34) TBXA2RCYP4F2CYP4A11NPC1LMNA
SCHEMBL5020365 0.81 CCR1 (0.35) HSP90AA1KCNH2CCR1CCR8

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-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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 (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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 TBXA2R 971/4885HSP90AA1 1228/4885CYP2D6 1420/4885

“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.