SCHEMBL6489977

SCHEMBL6489977

CC(=O)Nc1c(OCC(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
GBA1 P04062 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.45
PTPRB P23467 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 3/20 0.44
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL5983525 0.86 LMNA (0.51) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL1137447 0.85 CYP19A1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6489112 0.84 SERPINE1 (0.45) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL250364 0.82 KMT2A (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL3449044 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL250441 0.81 KMT2A (0.47) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL9538104 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL9185883 0.80 KMT2A (0.56) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL17847080 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL6829343 0.78 MEN1 (0.45) ALDH1A1KMT2AMEN1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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 (2 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 ALDH1A1 96/4885KMT2A 561/4885MEN1 1604/4885
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 ALDH1A1 374/4885KMT2A 3267/4885MEN1 4489/4885

“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.