SCHEMBL4055640

SCHEMBL4055640

Clc1cccc(Cl)c1OCCCCCBr

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTR1A P08908 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KLK1 P06870 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
PYGL P06737 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 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
SCHEMBL11450595 1.00 KMT2A (0.44) KMT2AL3MBTL1HPGDKDM4EHTR1A
SCHEMBL6654038 0.92 KMT2A (0.47) KMT2AL3MBTL1HPGDKDM4EHTR1A
SCHEMBL64472 0.85 KMT2A (0.48) KMT2AL3MBTL1HPGDKDM4EHTR1A
SCHEMBL8778511 0.80 KMT2A (0.44) KMT2AL3MBTL1HPGDKDM4EHTR1A
SCHEMBL20414593 0.80 L3MBTL1 (0.51) KMT2AL3MBTL1HPGDKDM4EHTR1A
SCHEMBL11567024 0.80 MAPT (0.41) KMT2AL3MBTL1HPGDKDM4EKLK1
SCHEMBL8955990 0.80 KMT2A (0.48) KMT2AL3MBTL1HPGDKDM4EHTR1A
SCHEMBL4953222 0.79 KLK1 (0.43) L3MBTL1HPGDKDM4EKLK1MAPT
SCHEMBL10461262 0.79 KMT2A (0.50) KMT2AL3MBTL1HPGDKDM4EHTR1A
SCHEMBL8918948 0.78 KMT2A (0.46) KMT2AL3MBTL1HPGDKDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620093-B1 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-06-24 EP disclosed
EP-1620093-A4 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-10-31 EP disclosed
US-7208450-B2 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives BAYER CROPSCIENCE AG (DE) 2007-04-24 US disclosed
EP-1620093-A2 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES FMC CORPORATION (US) 2006-02-01 EP disclosed
US-20050171356-A1 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives FMC CORPORATION 2005-08-04 US disclosed
WO-2004099105-A2 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES FMC CORPORATION (US) 2004-11-18 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-20050171356-A1 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives DDT, PDHX, CYP4X1 KMT2A 3082/4885L3MBTL1 36/4885HPGD 2807/4885

“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.