SCHEMBL21471178

SCHEMBL21471178

CC(C)(C)C(=O)N/N=C\I

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL22708745 0.80 KDM4E (0.46) POLBHTTL3MBTL1NPC1RAB9A
SCHEMBL19295799 0.80 KDM4E (0.46) POLBHTTL3MBTL1NPC1RAB9A
SCHEMBL19400610 0.80 KDM4E (0.46) POLBHTTL3MBTL1NPC1RAB9A
SCHEMBL16452389 0.78 POLB (0.59) POLBHTTL3MBTL1
SCHEMBL14296163 0.78 POLB (0.59) POLBHTTL3MBTL1
SCHEMBL14296158 0.78 POLB (0.59) POLBHTTL3MBTL1
SCHEMBL10057917 0.76 POLB (0.34) POLBHTTL3MBTL1
SCHEMBL20228092 0.75 POLB (0.37) POLBHTTL3MBTL1NPC1RAB9A
SCHEMBL18812118 0.75 THRB (0.52) POLBHTTL3MBTL1NPC1RAB9A
SCHEMBL18706152 0.75 KDM4E (0.46) POLBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036286-B2 Selective drug release from internalized conjugates of biologically active compounds SEAGEN INC. (US) 2024-07-16 US disclosed
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC (US) 2024-07-04 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof SEAGEN INC. (US) 2024-01-02 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-20210138077-A1 SELECTIVE DRUG RELEASE FROM INTERNALIZED CONJUGATES OF BIOLOGICALLY ACTIVE COMPOUNDS SEAGEN INC. 2021-05-13 US disclosed
US-20210008099-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEATTLE GENETICS, INC. (US) 2021-01-14 US disclosed
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 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 (8 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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT POLB 2833/4885HTT 1389/4885L3MBTL1 3324/4885
US-20210008099-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC POLB 4047/4885HTT 2573/4885L3MBTL1 496/4885
US-20210138077-A1 SELECTIVE DRUG RELEASE FROM INTERNALIZED CONJUGATES OF BIOLOGICALLY ACTIVE COMPOUNDS CTSB, CTSE, CTSZ POLB 2889/4885HTT 1146/4885L3MBTL1 1086/4885
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof MSN, AURKA, AURKC POLB 4047/4885HTT 2573/4885L3MBTL1 496/4885
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NME4, NNMT POLB 2824/4885HTT 2093/4885L3MBTL1 3653/4885
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC POLB 4047/4885HTT 2573/4885L3MBTL1 496/4885
US-12036286-B2 Selective drug release from internalized conjugates of biologically active compounds CTSB, CTSE, CTSZ POLB 2889/4885HTT 1146/4885L3MBTL1 1086/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT POLB 2824/4885HTT 2093/4885L3MBTL1 3653/4885

“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.