SCHEMBL2451676

SCHEMBL2451676

CCNC(=O)Cc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.55
ESRRG P62508 1/20 0.55
LMNA P02545 1/20 0.54
CA2 P00918 2/20 0.52
CAMK2A Q9UQM7 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
KDM4E B2RXH2 1/20 0.47
F13A1 P00488 1/20 0.47
HTT P42858 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL24272325 0.88 BCHE (0.52) ESRRBESRRGLMNARAB9AKDM4E
SCHEMBL826024 0.86 HPGD (0.51) LMNAHPGDNPC1RAB9AKDM4E
SCHEMBL9327260 0.85 ESRRB (0.60) ESRRBESRRGLMNACA2CAMK2A
SCHEMBL31344791 0.84 HPGD (0.50) LMNAHPGDNPC1RAB9AKDM4E
SCHEMBL13255794 0.84 HPGD (0.69) LMNAHPGDNPC1RAB9A
SCHEMBL24474317 0.84 HPGD (0.50) LMNAHPGDNPC1RAB9AKDM4E
SCHEMBL13933261 0.83 HTT (0.51) LMNACA2HPGDNPC1RAB9A
SCHEMBL780470 0.82 HPGD (0.49) LMNAHPGDNPC1RAB9AKDM4E
SCHEMBL21185332 0.82 HPGD (0.49) LMNAHPGDNPC1RAB9AKDM4E
SCHEMBL4388479 0.82 ALDH1A1 (0.65) LMNACA2TRPV1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160266133-A1 NUCLEIC ACID-SCAFFOLDED SMALL MOLECULE LIBRARIES ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-09-15 US disclosed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO 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 (2 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-20160266133-A1 NUCLEIC ACID-SCAFFOLDED SMALL MOLECULE LIBRARIES SNRPE, SARNP, SARS1 ESRRB 2515/4885ESRRG 2971/4885LMNA 444/4885
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK ESRRB 3809/4885ESRRG 4002/4885LMNA 3668/4885

“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.