SCHEMBL6513780

SCHEMBL6513780

O=C(NO)c1cc2cc(CNc3ccc(Oc4ccccc4)cc3)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.52
FFAR4 Q5NUL3 2/20 0.51
GNA15 P30679 1/20 0.50
PTGER3 P43115 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL6506293 0.90 HDAC1 (0.58) FFAR1HDAC1HDAC8HDAC6TP53
SCHEMBL6507649 0.78 HDAC1 (0.46) TDP1HDAC1HDAC8HDAC6TP53
SCHEMBL6513479 0.77 ALDH1A1 (0.54) FFAR1TDP1HDAC1HDAC8HDAC6
SCHEMBL6510152 0.77 HDAC2 (0.52) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL6512229 0.74 TP53 (0.40) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL4927605 0.74 HDAC3 (0.59) TDP1HDAC1HDAC8HDAC6TP53
SCHEMBL6514847 0.74 TP53 (0.40) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL6514506 0.73 INSR (0.57) HDAC1HDAC8HDAC6MAPTSMN1; SMN2
SCHEMBL25366655 0.73 HPGD (0.53) TP53SMN1; SMN2
SCHEMBL6512208 0.71 MAOA (0.49) TP53

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 FFAR1 4065/4885FFAR4 4179/4885GNA15 3622/4885

“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.