SCHEMBL6512229

SCHEMBL6512229

O=C(NO)c1cc2cc(CNc3nc[nH]n3)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 8/20 0.40
HDAC3 O15379 7/20 0.40
HDAC1 Q13547 7/20 0.40
HDAC2 Q92769 7/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
RAB9A P51151 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL6514847 0.82 TP53 (0.40) TP53LMNAPOLBL3MBTL1MAPT
SCHEMBL6506293 0.79 HDAC1 (0.58) TP53POLBKMT2AHDAC6HDAC1
SCHEMBL6510489 0.78 HRH3 (0.49) TP53POLBKMT2AHDAC6HDAC3
SCHEMBL6510152 0.76 HDAC2 (0.52) TP53LMNAPOLBL3MBTL1MAPT
SCHEMBL6506238 0.75 LMNA (0.46) TP53LMNAPOLBMAPTKMT2A
SCHEMBL6507649 0.75 HDAC1 (0.46) TP53LMNAPOLBL3MBTL1MAPT
SCHEMBL6513780 0.74 FFAR1 (0.52) TP53MAPTHDAC6HDAC1HDAC8
SCHEMBL6512208 0.74 MAOA (0.49) TP53LMNAKMT2ATAS1R3TAS1R1
SCHEMBL6514506 0.74 INSR (0.57) MAPTHDAC6HDAC1RAB9AHDAC8
SCHEMBL6513479 0.74 ALDH1A1 (0.54) TP53L3MBTL1MAPTKMT2AHDAC6

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 TP53 1887/4885LMNA 680/4885POLB 683/4885

“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.