SCHEMBL2114584

SCHEMBL2114584

CCOC(=O)c1cc(-c2ccc(Cl)nc2)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
DGAT1 O75907 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ALPL P05186 1/20 0.42
RAB9A P51151 4/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.40
PKM P14618 2/20 0.40
IDO1 P14902 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHEK2 O96017 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL11387968 0.86 ALPL (0.56) KDM4EALDH1A1HPGDALPLRAB9A
SCHEMBL12614775 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHTTRAB9A
SCHEMBL10999510 0.81 RAB9A (0.51) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL369373 0.80 NAPRT (0.46) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1566612 0.80 MAPT (0.57) KDM4EALDH1A1HPGDHTTRAB9A
SCHEMBL17201558 0.78 ERN1 (0.49) CDC7DBF4DGAT1KDM4EALDH1A1
SCHEMBL28313986 0.78 CA12 (0.41) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL12151041 0.78 MAPT (0.52) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL16399086 0.77 MMP12 (0.53) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL11398132 0.76 HPGD (0.43) KDM4EALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE CDC7 2624/4885DBF4 56/4885DGAT1 1810/4885

“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.