SCHEMBL1827630

SCHEMBL1827630

CCSc1cccc2c1C(=O)N(c1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.56
PABPC1 P11940 1/20 0.56
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
ADORA2A P29274 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
USP2 O75604 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL9815126 0.83 HSPA1A (0.65) HSPA1APABPC1HSD17B10ALOX15MAPK1
SCHEMBL12380045 0.79 HSPA1A (0.59) HSPA1APABPC1HSD17B10ALOX15MAPK1
SCHEMBL1828813 0.78 HSPA1A (0.63) HSPA1APABPC1HSD17B10ALOX15MAPK1
SCHEMBL15203010 0.74 CDC25A (0.53) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL1829840 0.73 HSPA1A (0.56) HSPA1APABPC1HSD17B10ALOX15MAPK1
SCHEMBL11871494 0.73 HSPA1A (0.52) HSPA1APABPC1MAPK1ALDH1A1POLB
SCHEMBL20885167 0.73 KMT2A (0.57) HSD17B10ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1827631 0.73 NR1H3 (0.53) HSD17B10ALDH1A1POLBKMT2AMEN1
SCHEMBL11513204 0.73 HSPA1A (1.00) HSPA1APABPC1HSD17B10ALOX15MAPK1
SCHEMBL31259838 0.73 HSPA1A (1.00) HSPA1APABPC1HSD17B10ALOX15MAPK1

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
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 HSPA1A 1418/4885PABPC1 4737/4885HSD17B10 2049/4885

“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.