SCHEMBL550568

SCHEMBL550568

CSCC(C)NC(=O)c1cccc(F)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.43
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ALB P02768 1/20 0.37

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
SCHEMBL550567 0.89 POLB (0.47) POLBMEN1KMT2AITGB2ICAM1
SCHEMBL551662 0.84 TAS1R3 (0.45) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL551878 0.84 MEN1 (0.44) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL551264 0.84 KMT2A (0.44) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL552116 0.84 MEN1 (0.44) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL551859 0.83 PTPN1 (0.48) POLBMEN1KMT2APTPN1ITGB2
SCHEMBL551261 0.80 KMT2A (0.55) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL551473 0.80 ALDH1A1 (0.53) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL550872 0.78 MEN1 (0.39) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL3377677 0.78 MEN1 (0.37) POLBMEN1KMT2APTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101198589-B N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP disclosed
CN-101198589-A N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG (DE) 2008-06-11 CN disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 WO disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 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 (3 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 POLB 4173/4885MEN1 3108/4885KMT2A 1629/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 POLB 4359/4885MEN1 1134/4885KMT2A 765/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT POLB 4401/4885MEN1 823/4885KMT2A 302/4885

“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.