SCHEMBL368236

SCHEMBL368236

O=C(Cl)c1cc(-c2cccnc2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.55
SCD5 Q86SK9 2/20 0.55
MAPT P10636 5/20 0.54
TP53 P04637 5/20 0.54
POLB P06746 2/20 0.54
RAB9A P51151 5/20 0.52
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.50
PTPN1 P18031 1/20 0.47
NPC1 O15118 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.47
MEN1 O00255 3/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL31039788 0.86 ALDH1A1 (0.70) SCDSCD5MAPTTP53POLB
SCHEMBL369290 0.86 ALDH1A1 (0.70) SCDSCD5MAPTTP53POLB
SCHEMBL30589115 0.84 SCD (0.55) SCDSCD5MAPTTP53POLB
SCHEMBL17788518 0.84 SCD (0.55) SCDSCD5MAPTTP53POLB
SCHEMBL892678 0.82 ALDH1A1 (0.73) MAPTRAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3413851 0.81 RAB9A (0.62) SCDSCD5MAPTTP53POLB
SCHEMBL13363887 0.81 TP53 (0.59) SCDSCD5MAPTTP53POLB
SCHEMBL4318440 0.78 CYP3A4 (0.62) SCDSCD5TP53RAB9ASMN1; SMN2
SCHEMBL7424477 0.77 L3MBTL1 (0.52) SCDSCD5MAPTTP53POLB
SCHEMBL30046162 0.77 L3MBTL1 (0.52) SCDSCD5MAPTTP53POLB

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 9 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
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP 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
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 SCD 3391/4885SCD5 3422/4885MAPT 3987/4885

“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.