SCHEMBL15964104

SCHEMBL15964104

CC(C)(C)C(=O)NCCN1CCNC1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
CREBBP Q92793 1/20 0.46
DRD4 P21917 3/20 0.43
DRD2 P14416 2/20 0.43
HPGDS O60760 1/20 0.42
FPR3 P25089 3/20 0.41
FPR2 P25090 3/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL13915559 0.85 KMT2A (0.52) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL18908773 0.85 KMT2A (0.52) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL21451154 0.82 KMT2A (0.49) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL4548019 0.82 KMT2A (0.61) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL9167791 0.82 KMT2A (0.60) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL26452488 0.81 KMT2A (0.53) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL17428293 0.80 KMT2A (0.58) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL5654310 0.80 KMT2A (0.62) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL12009838 0.79 KMT2A (0.58) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL13853727 0.79 KMT2A (0.59) KMT2ARAB9AKDM4EALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-9581904-B2 Photoresist overcoat compositions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-02-28 US disclosed
US-20160074431-A1 Methods and Compositions for Improving Appearance and Formation of Scar Tissue JOHNSON & JOHNSON CONSUMER INC (US) 2016-03-17 US disclosed
US-20140234250-A1 Methods and Compositions for Improving Appearance and Formation of Scar Tissue JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2014-08-21 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 (3 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-20160074431-A1 Methods and Compositions for Improving Appearance and Formation of Scar Tissue COL2A1, COL14A1, CUTA KMT2A 3578/4885RAB9A 3631/4885KDM4E 872/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 KMT2A 3088/4885RAB9A 1761/4885KDM4E 4440/4885
US-20140234250-A1 Methods and Compositions for Improving Appearance and Formation of Scar Tissue COL2A1, COL14A1, CUTA KMT2A 3578/4885RAB9A 3631/4885KDM4E 872/4885

“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.