SCHEMBL6507649

SCHEMBL6507649

Nc1cccc(NCc2ccc3oc(C(=O)NO)cc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FLT3 P36888 1/20 0.43
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
TP53 P04637 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
NLRP3 Q96P20 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
PKM P14618 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 2/20 0.41
F2 P00734 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL6506293 0.88 HDAC1 (0.58) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL6513479 0.87 ALDH1A1 (0.54) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL6510152 0.80 HDAC2 (0.52) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL6513780 0.78 FFAR1 (0.52) HDAC1HDAC8HDAC6TP53SMN1; SMN2
SCHEMBL6514506 0.76 INSR (0.57) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL31168773 0.75 RXFP1 (0.52) RAB9ANPC1TSHRSMN1; SMN2NFKB1
SCHEMBL6512229 0.75 TP53 (0.40) HDAC1HDAC8HDAC6RAB9ATP53
SCHEMBL6514847 0.74 TP53 (0.40) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL6512208 0.74 MAOA (0.49) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL31168774 0.73 RAB9A (0.52) RAB9ANPC1TP53KMT2AMEN1

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 HDAC1 1/4885HDAC8 7/4885HDAC6 10/4885

“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.