SCHEMBL557858

SCHEMBL557858

Cc1cc(I)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
CISD2 Q8N5K1 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CYP17A1 P05093 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 3/20 0.39

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
SCHEMBL18511360 0.88 LMNA (0.43) SMN1; SMN2CA12CA1CA9POLB
SCHEMBL18522602 0.87 HPGD (0.46) CA12CA1CA9POLBBRD9
SCHEMBL8297312 0.85 SMN1; SMN2 (0.63) SMN1; SMN2CISD2MEN1KMT2AMAPT
SCHEMBL12715634 0.84 KCNQ4 (0.40) CA12CA1CA9MAPTPOLB
SCHEMBL478362 0.83 CYP17A1 (0.52) SMN1; SMN2HTTCYP17A1RXFP1KCNQ4
SCHEMBL29659087 0.83 CYP17A1 (0.52) SMN1; SMN2HTTCYP17A1RXFP1KCNQ4
SCHEMBL9610070 0.83 RAB9A (0.41) HPGDCYP17A1RXFP1KCNQ4KCNQ5
SCHEMBL5868826 0.83 AAK1 (0.46) CISD2MAPTPOLBCYP17A1RXFP1
SCHEMBL25610019 0.83 MAPT (0.40) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL2770751 0.83 SMN1; SMN2 (0.47) SMN1; SMN2CISD2MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed
WO-2017031050-A1 MOLECULARLY TUNABLE HETEROGENEOUS CATALYSTS BY EDGE FUNCTIONALIZATION OF GRAPHITIC CARBONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-02-23 WO disclosed
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
US-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-02-22 US disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 WO disclosed
EP-1671941-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-06-21 EP disclosed
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US disclosed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP disclosed
EP-1517910-A1 PHOSPHORAMIDITES FOR COUPLING OLIGONUCLEOTIDES TO (2 + 2) PHOTOREACTIVE GROUPS Amersham Biosciences AB (SE) 2005-03-30 EP disclosed
WO-2004002995-A1 PHOSPHORAMIDITES FOR COUPLING OLIGONUCLEOTIDES TO [2 + 2] PHOTOREACTIVE GROUPS AMERSHAM BIOSCIENCES AB (SE) 2004-01-08 WO disclosed
US-20030096265-A1 Phosphoramidites for coupling oligonucleotides to [2 + 2] photoreactive groups MOTOROLA, INC. 2003-05-22 US 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 (4 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 SMN1; SMN2 3042/4885CISD2 1659/4885MEN1 3108/4885
US-20030096265-A1 Phosphoramidites for coupling oligonucleotides to [2 + 2] photoreactive groups PCNA, POLL, LIG4 SMN1; SMN2 3733/4885CISD2 572/4885MEN1 3277/4885
US-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent L3MBTL1, L3MBTL3, L3MBTL4 SMN1; SMN2 2170/4885CISD2 4287/4885MEN1 4633/4885
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 SMN1; SMN2 2208/4885CISD2 3723/4885MEN1 4160/4885

“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.