SCHEMBL425273

SCHEMBL425273

O=C1N[C@H]2CSC(CCCC(CCCC3SC[C@@H]4NC(=O)N[C@H]34)C(=O)O)[C@H]2N1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.67
MEN1 O00255 1/20 0.67
ABL1 P00519 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
IDE P14735 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RIN1 Q13671 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HLCS P50747 6/20 0.62
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
FOLH1 Q04609 2/20 0.45

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
SCHEMBL4740139 0.94 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL4466074 0.93 HLCS (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL1527196 0.93 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL1403829 0.93 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL4454446 0.93 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL5611457 0.92 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL487045 0.90 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL3839854 0.90 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL29750306 0.89 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL892363 0.89 HLCS (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065406-A1 Improved Preparation Method for D-Biotin ZHEJIANG MEDICINE CO., LTD., XINCHANG PHARMACEUTICAL FACTORY (CN) 2012-03-15 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-20120065406-A1 Improved Preparation Method for D-Biotin ACSL3, SQLE, BTD TDP1 4732/4885MEN1 3736/4885ABL1 2195/4885

“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.