SCHEMBL19834782

SCHEMBL19834782

O=C(O)C=Cc1ccc(F)nc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.50
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL19834781 1.00 MIF (0.50) MIFCA1CA2CA4NFKB1
SCHEMBL20487655 0.82 MIF (0.47) MIFCA1CA2CA4NFKB1
SCHEMBL20487654 0.82 MIF (0.47) MIFCA1CA2CA4NFKB1
SCHEMBL19842227 0.73 ALDH1A1 (0.40) LMNAALDH1A1GAATYRMEN1
SCHEMBL2456986 0.73 CA1 (0.50) MIFCA1CA2CA4NFKB1
SCHEMBL755806 0.73 CA1 (0.50) MIFCA1CA2CA4NFKB1
SCHEMBL21248123 0.71 HCAR2 (0.41) MIFCA1CA2CA4NFKB1
SCHEMBL29438802 0.71 TDP1 (0.36) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL22776708 0.70 KDM4E (0.53) MIFCA1CA2CA4NFKB1
SCHEMBL22776706 0.70 KDM4E (0.53) MIFCA1CA2CA4NFKB1

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-10894785-B2 Piperidine derivatives for use in the treatment of pancreatic cancer CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV 2021-01-19 — — US disclosed
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) 2019-06-20 — — US disclosed
EP-3494111-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2019-06-12 — — EP disclosed
WO-2018024907-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) 2018-02-08 — — WO disclosed
EP-3279192-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2018-02-07 — — EP 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-10894785-B2 Piperidine derivatives for use in the treatment of pancreatic cancer RNASE1, PKD1, GPR6 MIF 1986/4885CA1 3681/4885CA2 1608/4885
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER RNASE1, PKD1, GPR6 MIF 1903/4885CA1 3704/4885CA2 1617/4885

“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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