SCHEMBL13524253

SCHEMBL13524253

CNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.73
▸ 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
▸ HLCS P50747 6/20 0.64
▸ CA12 O43570 6/20 0.60
▸ CA1 P00915 6/20 0.60
▸ CA2 P00918 6/20 0.60
▸ CA9 Q16790 6/20 0.60
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53

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
SCHEMBL13899174 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL4757050 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL13274150 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL5903676 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL8165184 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL10171679 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL12238074 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL24653263 0.99 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL15130533 0.96 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL26902859 0.93 TDP1 (0.69) 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-20170240961-A1 AFFINITY TAG LABELED NUCLEOSIDES AND USES COMPLETE GENOMICS, INC. (US) 2017-08-24 — — US disclosed
US-9045516-B2 Synthetic ligands for the differentiation of closely related toxins and pathogens UNIVERSITY OF CINCINNATI 2015-06-02 — — US disclosed
US-8298513-B2 Hexatriene-β-carbonyl compound OSAKA UNIVERSITY (JP) 2012-10-30 — — US disclosed
US-20100008857-A1 NOVEL HEXATRIENE-BETA-CARBONYL COMPOUND OSAKA UNIVERSITY (JP) 2010-01-14 — — 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 (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-20100008857-A1 NOVEL HEXATRIENE-BETA-CARBONYL COMPOUND CBR1, CBR3, DCXR TDP1 4770/4885MEN1 4487/4885ABL1 4163/4885

“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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