SCHEMBL3329655

SCHEMBL3329655

CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.67
CDK2 P24941 1/20 0.67
NOTCH1 P46531 1/20 0.67
PSEN1 P49768 1/20 0.67
PSEN2 P49810 1/20 0.67
CCNA1 P78396 1/20 0.67
APH1B Q8WW43 1/20 0.67
NCSTN Q92542 1/20 0.67
APH1A Q96BI3 1/20 0.67
PSENEN Q9NZ42 1/20 0.67
KDM4E B2RXH2 14/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ALDH1A1 P00352 11/20 0.62
GAA P10253 8/20 0.62
CASP1 P29466 6/20 0.62
HPGD P15428 6/20 0.62
CASP7 P55210 5/20 0.62
USP2 O75604 2/20 0.62
PKM P14618 1/20 0.62
HSD17B10 Q99714 5/20 0.61

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
SCHEMBL15536537 0.91 KDM4E (0.74) CCNA2CDK2NOTCH1PSEN1PSEN2
SCHEMBL3324833 0.90 KDM4E (0.68) CCNA2CDK2NOTCH1PSEN1PSEN2
SCHEMBL3324839 0.90 KDM4E (0.72) CCNA2CDK2NOTCH1PSEN1PSEN2
SCHEMBL3326465 0.88 KDM4E (0.69) CCNA2CDK2NOTCH1PSEN1PSEN2
SCHEMBL3323113 0.87 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1GAACASP1
SCHEMBL3324829 0.87 CCNA2 (0.66) CCNA2CDK2NOTCH1PSEN1PSEN2
SCHEMBL19676551 0.86 KDM4E (0.67) CCNA2CDK2NOTCH1PSEN1PSEN2
SCHEMBL3329701 0.86 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1GAACASP1
SCHEMBL3329609 0.86 CCNA2 (0.65) CCNA2CDK2NOTCH1PSEN1PSEN2
SCHEMBL3326956 0.85 KDM4E (0.70) CCNA2CDK2NOTCH1PSEN1PSEN2

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
EP-2854809-B1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE LEIBNIZ-INSTITUT FÜR ALTERNSFORSCHUNG - FRITZ-LIPMANN-INSTITUT E V (FLI) (DE) 2017-12-06 EP 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 CCNA2 2159/4885CDK2 1983/4885NOTCH1 178/4885

“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.