SCHEMBL18501067

SCHEMBL18501067

CN1C(=O)N[C@@H]2[C@H](CCCCC(N)=O)SC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.45
MEN1 O00255 1/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
IDE P14735 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
RIN1 Q13671 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 7/20 0.39
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA9 Q16790 7/20 0.39
HLCS P50747 4/20 0.39
GAA P10253 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
SCHEMBL16471816 0.89 TDP1 (0.45) TDP1MEN1ABL1LMNAPKM
SCHEMBL19751635 0.89 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL19751767 0.89 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL4967996 0.89 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL4970908 0.86 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL16471804 0.86 TDP1 (0.44) TDP1MEN1ABL1LMNAPKM
SCHEMBL14234103 0.84 TDP1 (0.43) TDP1MEN1ABL1LMNAPKM
SCHEMBL20458019 0.82 TDP1 (0.39) TDP1MEN1ABL1LMNAPKM
SCHEMBL14393162 0.82 TDP1 (0.45) TDP1MEN1ABL1LMNAPKM
SCHEMBL18592610 0.82 TDP1 (0.39) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731982-B2 Biotin derivatives Life Technologies Corporation 2023-08-22 US disclosed
US-20190322681-A1 Biotin Derivatives LIFE TECHNOLOGIES AS (NO) 2019-10-24 US disclosed
US-20170174700-A1 Biotin Derivatives Life Technologies Corporation 2017-06-22 US disclosed
US-9567346-B2 Biotin derivatives Life Technologies Corporation (US) 2017-02-14 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 (3 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-11731982-B2 Biotin derivatives BTD, HLCS, BRI3BP TDP1 4350/4885MEN1 4227/4885ABL1 4047/4885
US-20190322681-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885MEN1 4227/4885ABL1 4047/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885MEN1 4227/4885ABL1 4047/4885

“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.