SCHEMBL6510896

SCHEMBL6510896

O=C(NO)c1cc2cc(CNCCc3ccncc3)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.50
HDAC1 Q13547 6/20 0.47
ALDH1A1 P00352 3/20 0.46
HDAC6 Q9UBN7 4/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC3 O15379 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
TBXAS1 P24557 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL6506238 0.90 LMNA (0.46) HDAC1ALDH1A1HDAC6HDAC2HDAC8
SCHEMBL6508520 0.87 KMT2A (0.53) HDAC1ALDH1A1HDAC6HDAC2HDAC8
SCHEMBL6511335 0.79 KMT2A (0.57) HDAC1ALDH1A1HDAC6HDAC2NPC1
SCHEMBL6510475 0.75 MC5R (0.62) HDAC1HDAC6HDAC2HDAC8NPC1
SCHEMBL6510489 0.74 HRH3 (0.49) HDAC1ALDH1A1HDAC6HDAC2HDAC8
SCHEMBL6512208 0.73 MAOA (0.49) ALDH1A1NPC1LMNARAB9AKMT2A
SCHEMBL6506293 0.72 HDAC1 (0.58) HDAC1ALDH1A1HDAC6HDAC8NPC1
SCHEMBL6512229 0.71 TP53 (0.40) HDAC1ALDH1A1HDAC6HDAC2HDAC8
SCHEMBL29445478 0.71 NPC1 (0.51) HDAC1ALDH1A1HDAC6HDAC2NPC1
SCHEMBL6510159 0.71 HDAC6 (0.52) HDAC1ALDH1A1HDAC6HDAC2HDAC8

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 5 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
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 ROCK1 2584/4885HDAC1 1/4885ALDH1A1 1731/4885

“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.