SCHEMBL6754386

SCHEMBL6754386

CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.50
ALDH1A1 P00352 6/20 0.47
GAA P10253 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 2/20 0.44
GFER P55789 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL6797629 0.82 GAA (0.56) ALDH1A1GAAL3MBTL1MAPTRAB9A
SCHEMBL19419968 0.75 KDM4E (0.47) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL1544856 0.74 CFTR (0.50) CFTRALDH1A1GAAMAPTRAB9A
SCHEMBL3681644 0.72 KMT2A (0.51) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL26965160 0.71 KMT2A (0.58) ALDH1A1GAAL3MBTL1MAPTRAB9A
SCHEMBL27659631 0.71 RAB9A (0.56) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL11797671 0.70 KEAP1 (0.52) CFTRALDH1A1MAPTRAB9ANPC1
SCHEMBL6756858 0.70 GAA (0.52) ALDH1A1GAAL3MBTL1MAPTRAB9A
SCHEMBL25252232 0.70 IDO1 (0.57) ALDH1A1GAAL3MBTL1MAPTRAB9A
SCHEMBL27088364 0.70 KEAP1 (0.49) ALDH1A1GAAL3MBTL1MAPTRAB9A

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CFTR 3785/4885ALDH1A1 1144/4885GAA 4703/4885

“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.