SCHEMBL19834771

SCHEMBL19834771

[N-]=[N+]=NCCCCC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59
▸ HDAC11 Q96DB2 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ HDAC9 Q9UKV0 1/20 0.59
▸ HDAC5 Q9UQL6 1/20 0.59
▸ NAMPT P43490 8/20 0.56
▸ FAAH O00519 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ EPHX1 P07099 1/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL25277190 0.92 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30877507 0.81 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19834819 0.81 GAA (0.49) L3MBTL1
SCHEMBL19834786 0.81 ALDH1A1 (0.54) —
SCHEMBL2552829 0.80 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3458291 0.80 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7313970 0.80 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19834875 0.79 CYP2C9 (0.47) ACHECYP2C9
SCHEMBL3458277 0.79 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3458303 0.79 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117730077-A 6-substituted naphthalene-1, 3-disulfonic acid derivatives as modulators of extracellular nicotinamide ribophosphate transferase (ENAMPT) for the treatment of, for example, diabetes 曼彻斯特大学 2024-03-19 — — CN disclosed
WO-2023007147-A1 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES THE UNIVERSITY OF MANCHESTER (GB) 2023-02-02 — — WO disclosed
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
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
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 HDAC3 35/4885HDAC4 146/4885HDAC1 20/4885
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER RNASE1, PKD1, GPR6 HDAC3 25/4885HDAC4 51/4885HDAC1 11/4885

“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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