SCHEMBL2414877

SCHEMBL2414877

COc1nc(-c2cccc(Cc3ccccc3)n2)nc2sccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ADORA2A P29274 8/20 0.36
ADORA1 P30542 4/20 0.35
BRD4 O60885 1/20 0.34
MAPK1 P28482 1/20 0.34
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
RAB9A P51151 1/20 0.33
NR1I3 Q14994 2/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
VDR P11473 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL2409883 0.89 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL2407988 0.82 ADORA2A (0.43) SMN1; SMN2ALDH1A1MAPTPKMADORA2A
SCHEMBL3787489 0.82 MAPT (0.50) KMT2AALDH1A1MAPTMAPK1NR1I3
SCHEMBL8142539 0.76 MAPT (0.48) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL14241615 0.75 PDE7A (0.39) KMT2AALDH1A1ADORA2AMAPK1RAB9A
SCHEMBL8779574 0.74 MAPK1 (0.62) KMT2AALDH1A1MAPTMAPK1NR1I3
SCHEMBL2413283 0.74 BRD4 (0.35) SMN1; SMN2ALDH1A1MAPTPKMADORA2A
SCHEMBL2408334 0.71 KRAS (0.60) KMT2ASMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL8779414 0.70 MEN1 (0.54) KMT2AALDH1A1MAPTBRD4CYP1A2
SCHEMBL8779415 0.70 MAPT (0.53) KMT2AALDH1A1MAPTBRD4NR1I3

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
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
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 KMT2A 4364/4885SMN1; SMN2 3707/4885ALDH1A1 116/4885

“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.