SCHEMBL6510072

SCHEMBL6510072

O=C(Nc1ccc2oc(C(=O)NO)cc2c1)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.51
NPC1 O15118 11/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 4/20 0.50
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
PKM P14618 1/20 0.49
PIN1 Q13526 1/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NLRP3 Q96P20 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 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
SCHEMBL6510137 0.88 MEN1 (0.60) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL14260744 0.84 NPC1 (0.51) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6506633 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6514424 0.80 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6506287 0.76 MEN1 (0.70) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6511972 0.73 HDAC1 (0.79) PIN1HDAC1HDAC3HDAC4HDAC7
SCHEMBL13485789 0.73 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL28891069 0.73 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6509267 0.72 BCAT1 (0.50) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6506293 0.72 HDAC1 (0.58) RAB9ANPC1SMN1; SMN2HPGDTP53

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 RAB9A 3382/4885NPC1 1868/4885SMN1; SMN2 4151/4885

“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.