SCHEMBL2408334

SCHEMBL2408334

O=c1[nH]c(-c2cccc(Cc3ccccc3)n2)nc2sccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.60
SPR P35270 1/20 0.48
PDE5A O76074 1/20 0.47
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
OPRK1 P41145 1/20 0.41
PAX8 Q06710 1/20 0.41
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
AGTR1 P30556 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HIF1A Q16665 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2409597 0.78 KRAS (0.67) KRASSPRPDE5AKMT2AALDH1A1
SCHEMBL10718384 0.77 KMT2A (0.61) KRASPDE5AKMT2AALDH1A1SMN1; SMN2
SCHEMBL26676961 0.76 KRAS (1.00) KRASSPRPDE5AKMT2AALDH1A1
SCHEMBL28533431 0.75 KRAS (0.65) KRASSPRPDE5AKMT2AALDH1A1
SCHEMBL2407988 0.73 ADORA2A (0.43) KRASALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2414877 0.71 KMT2A (0.39) KMT2AALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL2409883 0.69 KMT2A (0.38) PDE5AKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2202679 0.68 PDE5A (0.59) KRASSPRPDE5AKMT2AALDH1A1
SCHEMBL27965909 0.68 PDE5A (0.62) KRASSPRPDE5AKMT2AALDH1A1
SCHEMBL2413283 0.68 BRD4 (0.35) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
CN-102770433-A Novel microbicides SYNGENTA PARTICIPATIONS A G 2012-11-07 CN disclosed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 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-20120316184-A1 NOVEL MICROBICIDES NOX1, MSR1, FPR1 KRAS 1691/4885SPR 2751/4885PDE5A 1991/4885

“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.