SCHEMBL6489011

SCHEMBL6489011

COC(=O)c1ccccc1COc1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.50
RAB9A P51151 8/20 0.50
NPC1 O15118 6/20 0.50
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.50
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 2/20 0.48
MAOB P27338 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
MEN1 O00255 3/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL6490529 0.87 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL6499184 0.84 ALDH1A1 (0.48) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL6502928 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPOLBL3MBTL1KMT2A
SCHEMBL6493102 0.82 LNPEP (0.49) RAB9AMAPTKMT2AALDH1A1MEN1
SCHEMBL11634119 0.82 PKM (0.65) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL31556186 0.82 PKM (0.65) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL11406573 0.79 KMT2A (0.59) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL11235710 0.78 RAB9A (0.66) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL11630189 0.78 KMT2A (0.55) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL11295618 0.78 MAPT (0.68) SMN1; SMN2RAB9ANPC1MAPTMAPK1

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 SMN1; SMN2 1128/4885RAB9A 2599/4885NPC1 315/4885

“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.