SCHEMBL6510489

SCHEMBL6510489

O=C(NO)c1cc2cc(CNc3cnccn3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 0.81 TP53 (0.40) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6511335 0.78 KMT2A (0.57) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6512229 0.78 TP53 (0.40) ALDH1A1KDM4EHPGDKMT2ARAB9A
SCHEMBL6506238 0.77 LMNA (0.46) ALDH1A1HPGDKMT2AMEN1PIM1
SCHEMBL6506293 0.76 HDAC1 (0.58) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL6508520 0.75 KMT2A (0.53) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6510896 0.74 ROCK1 (0.50) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL29445478 0.73 NPC1 (0.51) ALDH1A1KMT2APIM1PIM2NPC1
SCHEMBL6510152 0.73 HDAC2 (0.52) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6507649 0.72 HDAC1 (0.46) ALDH1A1KDM4EHPGDKMT2AMEN1

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 HRH3 1148/4885ALDH1A1 1731/4885KDM4E 129/4885

“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.