SCHEMBL3326628

SCHEMBL3326628

CCc1ccc(C2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 5/20 0.75
CCNA2 P20248 1/20 0.75
CDK2 P24941 1/20 0.75
PSEN1 P49768 1/20 0.75
PSEN2 P49810 1/20 0.75
CCNA1 P78396 1/20 0.75
APH1B Q8WW43 1/20 0.75
NCSTN Q92542 1/20 0.75
APH1A Q96BI3 1/20 0.75
PSENEN Q9NZ42 1/20 0.75
KDM4E B2RXH2 13/20 0.66
ALDH1A1 P00352 10/20 0.66
TSHR P16473 4/20 0.66
NPSR1 Q6W5P4 3/20 0.66
HSD17B10 Q99714 3/20 0.66
TP53 P04637 1/20 0.65
GAA P10253 4/20 0.61
CASP1 P29466 3/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL16854567 0.90 NOTCH1 (0.81) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL16854538 0.90 NOTCH1 (0.81) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL3325137 0.89 NOTCH1 (0.76) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL15538182 0.89 NOTCH1 (0.79) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL3320741 0.89 KDM4E (0.73) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL16854539 0.88 NOTCH1 (0.79) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL15756097 0.87 NOTCH1 (0.73) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL15537264 0.87 NOTCH1 (0.80) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL16850575 0.87 NOTCH1 (0.75) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL19366382 0.87 NOTCH1 (0.75) NOTCH1CCNA2CDK2PSEN1PSEN2

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 2 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

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 NOTCH1 178/4885CCNA2 2159/4885CDK2 1983/4885

“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.