SCHEMBL6509267

SCHEMBL6509267

O=C(NO)c1cc2cc(NCS(=O)(=O)c3ccccc3)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 4/20 0.50
MMP2 P08253 3/20 0.46
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CA9 Q16790 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
MMP14 P50281 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
LMNA P02545 3/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL6509957 0.93 MMP2 (0.49) BCAT1MMP2MMP14
SCHEMBL6510457 0.89 BCAT1 (0.46) BCAT1MMP2RAB9ANPC1KDM4E
SCHEMBL6509584 0.82 MEN1 (0.48) BCAT1MMP2RAB9ATP53CA9
SCHEMBL6507290 0.75 HDAC1 (0.67)
SCHEMBL6510137 0.75 MEN1 (0.60) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL6514424 0.75 ALDH1A1 (0.66) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL6506293 0.74 HDAC1 (0.58) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL6506633 0.74 RAB9A (0.74) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL6510072 0.72 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL6509270 0.72 BCAT1 (0.50) BCAT1RAB9ANPC1SMN1; SMN2MAPT

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
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 BCAT1 2085/4885MMP2 305/4885RAB9A 3382/4885

“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.