SCHEMBL4598142

SCHEMBL4598142

Cc1nc(Oc2ccc([N+](=O)[O-])cc2)ccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 3/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSPB1 P04792 2/20 0.46
NPSR1 Q6W5P4 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL5572824 0.80 KDM4E (0.43) MAPTALDH1A1HTTLMNAMAPK1
SCHEMBL4598347 0.80 ALDH1A1 (0.50) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL4140304 0.79 KDM4E (0.46) ALDH1A1HTTLMNASMN1; SMN2MEN1
SCHEMBL5575305 0.79 KDM4E (0.42) MAPTALDH1A1HTTLMNAMAPK1
SCHEMBL3985523 0.78 KDM4E (0.39) MAPTALDH1A1HTTLMNAMAPK1
SCHEMBL4124019 0.76 KDM4E (0.39) MAPTALDH1A1HTTLMNAMAPK1
SCHEMBL4596118 0.75 MAP4K4 (0.51) MAPTHTTLMNAMAPK1SMN1; SMN2
SCHEMBL3980466 0.75 TDP1 (0.44) ALDH1A1HTTSMN1; SMN2TDP1KMT2A
SCHEMBL13809841 0.74 MAP4K4 (0.40) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL13111360 0.74 ALDH1A1 (0.50) MAPTALDH1A1HTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAPT 3432/4885ALDH1A1 3484/4885HTT 4524/4885

“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.