SCHEMBL6502811

SCHEMBL6502811

CCOC(=O)c1cc(C)c(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.57
GALR2 O43603 1/20 0.57
MITF O75030 1/20 0.57
HSP90AA1 P07900 1/20 0.57
XBP1 P17861 1/20 0.57
CCR6 P51684 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
PKM P14618 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PTGER4 P35408 1/20 0.48

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
SCHEMBL7355953 0.84 KMT2A (0.52) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6489099 0.83 KMT2A (0.57) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL638498 0.82 TSHR (0.54) KMT2AALDH1A1HPGDPOLBLMNA
SCHEMBL10606064 0.81 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL13011084 0.79 ESR1 (0.60) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL8268147 0.79 LMNA (0.45) KMT2AALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6170744 0.79 KMT2A (1.00) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6815909 0.78 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6493050 0.78 ALOX15 (0.47) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6159554 0.78 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2HPGDPOLB

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD KMT2A 561/4885ALDH1A1 96/4885SMN1; SMN2 1128/4885

“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.