SCHEMBL5020448

SCHEMBL5020448

CSc1nccc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DYRK3 O43781 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5020217 0.89 HSP90AA1 (0.34) HSP90AA1CYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL5020366 0.87 CCR1 (0.41) HSP90AA1CYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL5020379 0.85 SMN1; SMN2 (0.40) HSP90AA1CYP4F2CYP4A11L3MBTL1POLB
SCHEMBL5020449 0.85 MEN1 (0.37) CYP4F2CYP4A11L3MBTL1LMNANPC1
SCHEMBL15470601 0.84 TBXA2R (0.35) HSP90AA1CYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL5020377 0.84 HSP90AA1 (0.34) HSP90AA1CYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL5020444 0.84 NPC1 (0.36) HSP90AA1CYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL5020344 0.84 FFAR1 (0.34)
SCHEMBL5020230 0.83 FFAR1 (0.31) HSP90AA1
SCHEMBL5020445 0.83 GABRA1 (0.37) HSP90AA1CYP4F2CYP4A11

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-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
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 HSP90AA1 1228/4885CYP4F2 2272/4885CYP4A11 2099/4885

“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.