SCHEMBL5451650

SCHEMBL5451650

COC(=O)c1ccc(C=C(C#N)C(=O)CC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.61
▸ LMNA P02545 3/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ ALDH1A1 P00352 7/20 0.59
▸ MAPT P10636 6/20 0.59
▸ TP53 P04637 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MITF O75030 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.57
▸ NPC1 O15118 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 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
SCHEMBL5451648 1.00 KDM4E (0.61) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5463556 0.83 ALDH1A1 (0.58) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL5463559 0.83 ALDH1A1 (0.58) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL4117018 0.82 ALDH1A1 (0.47) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL4117015 0.82 ALDH1A1 (0.47) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL9360685 0.80 ALDH1A1 (0.63) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL9360681 0.80 ALDH1A1 (0.63) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5449606 0.77 RPS6KA3 (0.45) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL5449601 0.77 RPS6KA3 (0.45) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL9967743 0.76 ALDH1A1 (0.55) KDM4ELMNASMN1; SMN2ALDH1A1MAPT

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 KDM4E 569/4885LMNA 2641/4885SMN1; SMN2 4203/4885

“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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