SCHEMBL3329613

SCHEMBL3329613

CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 12/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 4/20 0.48
LMNA P02545 2/20 0.48
AGTR1 P30556 1/20 0.48
CASP1 P29466 4/20 0.47
CASP7 P55210 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 6/20 0.47
HTT P42858 3/20 0.46
MAPT P10636 1/20 0.46
ABCC1 P33527 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44

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 0.95 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3325469 0.89 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3320573 0.88 KDM4E (0.52) ALDH1A1KDM4EUSP2MAPK1RAB9A
SCHEMBL3325585 0.87 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3328262 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3324895 0.84 KDM4E (0.68) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3324937 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3323592 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3323801 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1
SCHEMBL3323878 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2USP2MAPK1

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 ALDH1A1 2615/4885KDM4E 4115/4885SMN1; 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.