SCHEMBL22147209

SCHEMBL22147209

CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(CCCCNC(=O)/C=C/c3cccnc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 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
SCHEMBL30275523 1.00 NAMPT (0.71) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL31596947 0.99 NAMPT (0.70) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL31596978 0.94 NAMPT (0.66) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL22126980 0.90 NAMPT (0.80) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL22126982 0.90 NAMPT (0.80) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL31606436 0.89 NAMPT (0.68) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL31606428 0.89 NAMPT (0.67) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL20095305 0.89 NAMPT (0.79) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL20095600 0.85 NAMPT (0.82) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL30275527 0.84 NAMPT (0.82) NAMPTCYP3A4CYP2C9HDAC3HDAC1

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-20230173093-A1 CHARGE VARIANT LINKERS SEAGEN INC (US) 2023-06-08 US disclosed
US-20230173093-A1 CHARGE VARIANT LINKERS SEAGEN INC (US) 2023-06-08 US disclosed
US-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 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 (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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK NAMPT 1/4885CYP3A4 4804/4885CYP2C9 4269/4885
US-20230173093-A1 CHARGE VARIANT LINKERS SSB, UACA, CDA NAMPT 801/4885CYP3A4 4396/4885CYP2C9 3570/4885

“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.