SCHEMBL3322249

SCHEMBL3322249

COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)C2c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
ALDH1A1 P00352 9/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 1/20 0.57
CASP1 P29466 4/20 0.56
CASP7 P55210 4/20 0.56
HSD17B10 Q99714 4/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 3/20 0.54
FFAR3 O14843 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL3325420 0.93 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL3325278 0.91 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL3323882 0.89 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL3325198 0.86 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL3326941 0.85 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2MAPK1CASP1
SCHEMBL3320781 0.84 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL3325157 0.83 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MAPK1CASP1
SCHEMBL3325251 0.83 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2MAPK1CASP1
SCHEMBL3324655 0.83 SMN1; SMN2 (0.72) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL3324841 0.83 ALDH1A1 (0.79) KDM4EALDH1A1SMN1; SMN2MAPK1CASP1

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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 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 (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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 KDM4E 4115/4885ALDH1A1 2615/4885SMN1; SMN2 1086/4885

“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.