SCHEMBL9926529

SCHEMBL9926529

Cc1ccccc1NCCC(=O)NN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL15516423 0.83 LMNA (0.56) MAPTHTTHPGDALDH1A1MAPK1
SCHEMBL9926528 0.83 MAPT (0.62) MAPTHTTHPGDALDH1A1MAPK1
SCHEMBL3205146 0.81 ITGB3 (0.66) MAPTHTTHPGDALDH1A1MAPK1
SCHEMBL11558469 0.81 MAPT (0.64) MAPTHTTHPGDALDH1A1ITGB3
SCHEMBL31139405 0.81 ITGB3 (0.66) MAPTHTTHPGDALDH1A1MAPK1
SCHEMBL4409648 0.80 L3MBTL1 (0.45) MAPTHTTHPGDALDH1A1HSD17B10
SCHEMBL11595858 0.80 ALDH1A1 (0.52) MAPTHTTALDH1A1HSD17B10HDAC3
Hydrochloric Acid SCHEMBL10912163 0.79 ITGB3 (0.64) MAPTHTTHPGDALDH1A1ITGB3
SCHEMBL23189083 0.78 MAPT (0.60) MAPTHTTHPGDALDH1A1ITGB3
SCHEMBL13948837 0.78 MAPT (0.60) MAPTHTTHPGDALDH1A1ITGB3

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 US disclosed
CN-100587001-C Polyacetal resin composition POLYPLASTICS CO 2010-02-03 CN disclosed
CN-1878834-A Polyacetal resin composition POLYPLASTICS CO (JP) 2006-12-13 CN 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MAPT 582/4885HTT 82/4885HPGD 2850/4885

“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.