SCHEMBL6506633

SCHEMBL6506633

O=C(NO)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.74
NPC1 O15118 15/20 0.74
SMN1; SMN2 Q16637 10/20 0.74
HPGD P15428 1/20 0.74
TP53 P04637 6/20 0.69
PKM P14618 3/20 0.69
NFKB1 P19838 3/20 0.69
NFKB2 Q00653 3/20 0.69
RELA Q04206 3/20 0.69
MEN1 O00255 9/20 0.67
KMT2A Q03164 9/20 0.67
TSHR P16473 4/20 0.67
MAPK1 P28482 2/20 0.67
NLRP3 Q96P20 1/20 0.67
MAPT P10636 5/20 0.64
LMNA P02545 3/20 0.64
NPSR1 Q6W5P4 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62

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
SCHEMBL28891069 0.87 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL13485789 0.87 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6506287 0.85 MEN1 (0.70) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL8288225 0.84 HDAC1 (0.65) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL3618549 0.83 NPC1 (0.78) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL5866982 0.82 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6514424 0.82 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6510072 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL8287006 0.81 HDAC1 (0.65) 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.