SCHEMBL5452564

SCHEMBL5452564

O=C(NO)c1ccc(-c2ccc(CNCCCN3CCOCC3)cc2)o1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 3/20 0.52
MAPK1 P28482 3/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.48
GLA P06280 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL5444760 0.93 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL5453734 0.91 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL5453726 0.84 DPP7 (0.50) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL5446779 0.83 DPP7 (0.49) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL9491011 0.81 ALDH1A1 (0.80) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
Water SCHEMBL9478437 0.80 ALDH1A1 (0.78) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL3175221 0.79 CYP2C19 (0.80) ALDH1A1CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL2053902 0.79 ALDH1A1 (0.80) ALDH1A1MAPK1TSHRSMN1; SMN2LMNA
SCHEMBL5456286 0.79 KDM4E (0.45) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL3179723 0.77 CYP2C19 (0.76) ALDH1A1CYP3A4CYP2D6CYP2C19MAPT

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
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 ALDH1A1 447/4885CYP3A4 1201/4885CYP2D6 1404/4885

“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.