SCHEMBL1046535

SCHEMBL1046535

Cn1ncnc1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRD5A2 P31213 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL1045991 0.73 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL7592068 0.70 HTT (0.70) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL12529639 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL25458163 0.69 KDM4E (0.33) ALDH1A1RECQLKMT2AATMLMNA
SCHEMBL13320611 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL1043257 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL10751885 0.68 MAPK14 (0.50) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL10507092 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
Benzophenone SCHEMBL7454682 0.67 ALDH1A1 (0.88) ALDH1A1KMT2AMEN1L3MBTL1ATM
Benzophenone SCHEMBL6061130 0.67 ALDH1A1 (1.00) ALDH1A1RECQLKMT2AMEN1L3MBTL1

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
US-8981111-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-02-10 US disclosed
EP-2271641-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2009130193-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-10-29 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-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 ALDH1A1 2550/4885SMN1; SMN2 4257/4885RECQL 3070/4885

“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.