SCHEMBL799653

SCHEMBL799653

O=c1oc(Cc2ccc(Cl)cc2)ns1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 3/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1567702 0.85 ALDH1A1 (0.46) NPC1POLBALDH1A1L3MBTL1
SCHEMBL1568835 0.81 PTK2 (0.42) KMT2ANPC1MAPTMEN1
SCHEMBL1082378 0.79 ALDH1A1 (0.49) HPGDKMT2ANPC1POLBMAPK1
SCHEMBL459541 0.69 PSMB8 (0.68) NPC1TSHR
SCHEMBL5544281 0.69 NOTUM (0.53) HPGDNPC1MAPK1TSHRALDH1A1
SCHEMBL1935798 0.69
SCHEMBL627518 0.66 MAPK1 (0.44) HPGDNPC1MAPTMAPK1ALDH1A1
SCHEMBL30578691 0.66 NPC1 (0.55) HPGDKMT2ANPC1ALOX12POLB
SCHEMBL1106684 0.65 IDO1 (0.58) KMT2AMAPTTSHRALDH1A1MEN1
SCHEMBL10364620 0.64 NPC1 (0.54) HPGDKMT2ANPC1ALOX12POLB

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
US-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
US-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
WO-2012019998-A1 PRODUCTION OF N'-(4-{[3-(4-CHLORBENZYL)-1,2,4-THIADIAZOL-5-YL] OXY} -2,5-DIMETHYLPHENYL)-N-ETHYL-N-METHYLIMIDOFORMAMIDE BAYER CROPSCIENCE AG (DE) 2012-02-16 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-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide NT5C, NT5E, NT5C3B HPGD 1172/4885KMT2A 144/4885NPC1 1284/4885

“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.