SCHEMBL5463559

SCHEMBL5463559

CCc1ccc(C=C(C#N)C(=O)CC(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CISD1 Q9NZ45 1/20 0.43
▸ SLC16A3 O15427 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SLC16A1 P53985 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL5463556 1.00 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL4117018 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL4117015 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL5451648 0.83 KDM4E (0.61) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL5451650 0.83 KDM4E (0.61) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL5449601 0.82 RPS6KA3 (0.45) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL5449606 0.82 RPS6KA3 (0.45) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL9362275 0.81 KDM4E (0.65) ALDH1A1KMT2AKDM4EHPGDCISD1
SCHEMBL9362272 0.81 KDM4E (0.65) ALDH1A1KMT2AKDM4EHPGDCISD1
SCHEMBL21457216 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EHPGDMAPT

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 — — US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 — — EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 — — 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 (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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD ALDH1A1 743/4885KMT2A 1601/4885KDM4E 569/4885

“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.

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