SCHEMBL3570753

SCHEMBL3570753

O=C(NCc1ccc2cc(C(=O)O)sc2c1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.57
PLAU P00749 1/20 0.49
BCL2L1 Q07817 1/20 0.47
HDAC2 Q92769 2/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.45
TBXAS1 P24557 1/20 0.44
SENP5 Q96HI0 1/20 0.43
SENP2 Q9HC62 1/20 0.43
SENP1 Q9P0U3 1/20 0.43

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
SCHEMBL1895486 0.91 HDAC1 (0.70) HDAC1HDAC2HDAC3
SCHEMBL13036444 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC3SENP5SENP2
SCHEMBL8250687 0.81 HDAC1 (0.50) HDAC1HDAC2HDAC3SENP5SENP2
SCHEMBL4552001 0.81 BCL2L1 (0.55) HDAC1BCL2L1TBXAS1
SCHEMBL3982575 0.80 HDAC1 (0.83) HDAC1BCL2L1HDAC2HDAC3SENP5
SCHEMBL17864888 0.77 LMNA (0.61) HDAC1PLAUHDAC2LMNASMN1; SMN2
SCHEMBL4255241 0.77 HDAC1 (0.82) HDAC1BCL2L1TBXAS1
Benzyl Benzylcarbamate SCHEMBL1136818 0.76 PLAU (0.70) HDAC1PLAUHDAC2TNKSTNKS2
SCHEMBL8866913 0.75 HDAC1 (0.56) HDAC1BCL2L1SMN1; SMN2
Benzyl Benzylcarbamate SCHEMBL9998166 0.74 PLAU (0.68) HDAC1PLAUHDAC2TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 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-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 HDAC1 4/4885PLAU 4684/4885BCL2L1 156/4885

“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.