SCHEMBL5565033

SCHEMBL5565033

O=C(Oc1ccc2sc(C(=O)O)cc2c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MAPT P10636 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
MEN1 O00255 1/20 0.60
BCL2L1 Q07817 1/20 0.55
CLK1 P49759 7/20 0.50
DYRK1A Q13627 4/20 0.50
DYRK1B Q9Y463 3/20 0.50
CA2 P00918 1/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
POLB P06746 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
TBXAS1 P24557 1/20 0.46
PARP10 Q53GL7 1/20 0.45
HDAC1 Q13547 1/20 0.45
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL1867721 0.77 CLK1 (0.68) BCL2L1CLK1DYRK1ADYRK1B
SCHEMBL1230732 0.77 CLK1 (0.50) BCL2L1CLK1DYRK1ADYRK1BTBXAS1
SCHEMBL11100612 0.77 KMT2A (0.64) KMT2AMAPTTDP1MEN1CA2
SCHEMBL1639878 0.76 KMT2A (1.00) KMT2AMAPTTDP1MEN1CA12
SCHEMBL30523105 0.76 KMT2A (1.00) KMT2AMAPTTDP1MEN1CA12
SCHEMBL18058690 0.76 KMT2A (0.93) KMT2AMAPTTDP1MEN1CA12
SCHEMBL15697578 0.76 DYRK1A (0.63) KMT2ATDP1MEN1BCL2L1CLK1
SCHEMBL7214431 0.76 C1S (0.70) KMT2AMAPTTDP1MEN1CA2
Benzoic Acid SCHEMBL9956914 0.75 KMT2A (0.90) KMT2AMAPTTDP1MEN1CA12
SCHEMBL10778099 0.75 KMT2A (0.77) KMT2AMAPTTDP1MEN1CA12

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-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 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-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 KMT2A 55/4885MAPT 3808/4885TDP1 984/4885

“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.