SCHEMBL4893482

SCHEMBL4893482

Cc1cc([N+](=O)[O-])cnc1-c1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
HDAC1 Q13547 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
HDAC2 Q92769 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KDR P35968 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
SCHEMBL4893491 1.00 KMT2A (0.58) KMT2AHDAC1ALDH1A1HTTMAPT
SCHEMBL14182616 0.87 KMT2A (0.49) KMT2AHDAC1ALDH1A1HTTMAPT
SCHEMBL8262991 0.85 KMT2A (0.48) KMT2AHDAC1ALDH1A1HTTMAPT
SCHEMBL4894599 0.83 HDAC1 (0.56) KMT2AHDAC1MAPTNPC1HDAC2
SCHEMBL4897229 0.81 HDAC1 (0.52) KMT2AHDAC1NPC1POLBMEN1
SCHEMBL4897402 0.81 HDAC1 (0.59) KMT2AHDAC1MAPTNPC1POLB
SCHEMBL2404162 0.80 ALDH1A1 (0.53) KMT2AALDH1A1HTTMAPTMEN1
SCHEMBL23673663 0.79 NPC1 (0.73) KMT2AALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL27720607 0.76 KMT2A (0.58) KMT2AALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL4887589 0.76 HDAC1 (0.47) KMT2AHDAC1SMN1; SMN2NPC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO 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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 KMT2A 57/4885HDAC1 1/4885ALDH1A1 585/4885

“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.