SCHEMBL3325469

SCHEMBL3325469

CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
POLB P06746 5/20 0.50
LMNA P02545 2/20 0.50
AGTR1 P30556 1/20 0.50
ALDH1A1 P00352 8/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 4/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
USP2 O75604 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3328264 0.94 KDM4E (0.49) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3329613 0.89 ALDH1A1 (0.51) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3325585 0.87 KDM4E (0.53) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3325468 0.85 KDM4E (0.47) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3323801 0.85 ALDH1A1 (0.57) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3320561 0.82 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL5332348 0.82 KDM4E (0.51) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3324425 0.82 ALDH1A1 (0.55) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3324937 0.82 ALDH1A1 (0.49) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5338078 0.82 KDM4E (0.56) KDM4EPOLBLMNAAGTR1ALDH1A1

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 1 patent. 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

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 4115/4885POLB 606/4885LMNA 910/4885

“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.