SCHEMBL5585656

SCHEMBL5585656

NNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.71
MEN1 O00255 1/20 0.71
ABL1 P00519 1/20 0.71
LMNA P02545 1/20 0.71
PKM P14618 1/20 0.71
IDE P14735 1/20 0.71
MAPK1 P28482 1/20 0.71
KMT2A Q03164 1/20 0.71
RIN1 Q13671 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
CA12 O43570 6/20 0.63
CA1 P00915 6/20 0.63
CA2 P00918 6/20 0.63
CA9 Q16790 6/20 0.63
HLCS P50747 6/20 0.63

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
SCHEMBL565406 1.00 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL12424056 1.00 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL19514780 1.00 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL33865 1.00 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL5585660 1.00 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL10140211 1.00 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL14812382 0.99 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
Hydrazine SCHEMBL28140320 0.99 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL23863708 0.96 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL1024507 0.94 HLCS (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030077616-A1 Biomolecule characterization using mass spectrometry and affinity tags CIPHERGEN BIOSYSTEMS, INC. (US) 2003-04-24 US claimed
US-20070254006-A1 Medical Devices and Coatings with Non-Leaching Antimicrobial Peptides MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-11-01 US disclosed
US-20030077616-A1 Biomolecule characterization using mass spectrometry and affinity tags CIPHERGEN BIOSYSTEMS, INC. (US) 2003-04-24 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-20070254006-A1 Medical Devices and Coatings with Non-Leaching Antimicrobial Peptides HAMP, HM13, VIP TDP1 3807/4885MEN1 875/4885ABL1 933/4885

“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.