SCHEMBL6490589

SCHEMBL6490589

CCOC(=O)c1cccc(-c2ccc(NC(C)=O)c([N+](=O)[O-])c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.77
ALDH1A1 P00352 5/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GALR2 O43603 1/20 0.56
MITF O75030 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
CCR6 P51684 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
PKM P14618 2/20 0.56
NPC1 O15118 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
ABCB1 P08183 4/20 0.55

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
SCHEMBL6170744 0.87 KMT2A (1.00) KMT2AALDH1A1POLBKDM4ELMNA
SCHEMBL6489099 0.85 KMT2A (0.57) KMT2AALDH1A1POLBKDM4ELMNA
SCHEMBL6495605 0.81 KMT2A (0.52) KMT2AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2282371 0.80 MAPT (0.68) KMT2APOLBNPSR1MAPTRAB9A
SCHEMBL6169182 0.80 KMT2A (0.81) KMT2AALDH1A1POLBKDM4ELMNA
SCHEMBL2645986 0.79 ABCB1 (0.66) KMT2AALDH1A1KDM4ENPSR1MAPT
SCHEMBL12684738 0.77 APP (0.62) KMT2AALDH1A1POLBKDM4ELMNA
SCHEMBL2943448 0.77 KMT2A (0.50) KMT2AALDH1A1POLBKDM4ELMNA
SCHEMBL5652491 0.76 ALDH1A1 (0.52) KMT2AALDH1A1POLBKDM4ELMNA
SCHEMBL29617015 0.76 TP53 (0.62) ALDH1A1POLBSMN1; SMN2HPGDMAPT

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 1 patent. 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

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 96/4885POLB 3384/4885

“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.