SCHEMBL19317565

SCHEMBL19317565

O=C(/C=C/c1ccccc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ CYP2C9 P11712 1/20 0.82
▸ BCHE P06276 4/20 0.59
▸ ACHE P22303 4/20 0.59
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ KMT2A Q03164 1/20 0.55
▸ MAOA P21397 1/20 0.53
▸ EGFR P00533 1/20 0.52

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
Daporinad SCHEMBL29635857 0.90 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL156944 0.90 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL82367 0.90 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL31181445 0.90 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL82368 0.90 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL23924298 0.90 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4
SCHEMBL3458354 0.90 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL30634180 0.90 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4
SCHEMBL3458355 0.90 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4
SCHEMBL19834849 0.88 NAMPT (0.80) NAMPTCYP3A4CYP2C9BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170252364-A1 COMPOSITIONS FOR TREATMENT OF ACUTE LYMPHOBLASTIC LEUKEMIA AND METHODS OF USE THEREOF MOR RESEARCH APPLIC LTD (IL) 2017-09-07 — — US 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-20170252364-A1 COMPOSITIONS FOR TREATMENT OF ACUTE LYMPHOBLASTIC LEUKEMIA AND METHODS OF USE THEREOF MCL1, BCL3, BCL9 NAMPT 1127/4885CYP3A4 4051/4885CYP2C9 4306/4885

“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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