SCHEMBL4134745

SCHEMBL4134745

CCc1cc([N+](=O)[O-])c(OC)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL27173131 0.93 ALDH1A1 (0.54) CHEK1ALDH1A1TDP1L3MBTL1CYP2D6
SCHEMBL24750114 0.86 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1CYP2D6MAPT
SCHEMBL29785305 0.84 ALDH1A1 (0.43) CHEK1ALDH1A1TDP1L3MBTL1CYP2D6
SCHEMBL309725 0.84 ALDH1A1 (0.43) CHEK1ALDH1A1TDP1L3MBTL1CYP2D6
SCHEMBL16117975 0.84 LMNA (0.46) ALDH1A1TDP1L3MBTL1CYP2D6MAPT
SCHEMBL6370055 0.84 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL7257048 0.83 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1CYP2D6MAPT
SCHEMBL2087809 0.82 ALDH1A1 (0.63) ALDH1A1TDP1L3MBTL1CYP2D6MAPT
SCHEMBL10778338 0.82 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1CYP2D6MAPT
SCHEMBL4290497 0.82 GABRA1 (0.53) ALDH1A1TDP1L3MBTL1CYP2D6MAPT

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-20090069341-A1 INHIBITORS OF HSP90 CHENE PATRICK 2009-03-12 US disclosed
CN-101027054-A Inhibitors of HSP90 NOVARTIS AG (CH) 2007-08-29 CN disclosed
EP-1776110-A1 INHIBITORS OF HSP90 Novartis AG (CH) 2007-04-25 EP disclosed
WO-2006010594-A1 INHIBITORS OF HSP90 NOVARTIS AG (CH) 2006-02-02 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-20090069341-A1 INHIBITORS OF HSP90 HSP90AB1, HSP90B1, HSP90AA1 CHEK1 346/4885ALDH1A1 2811/4885TDP1 879/4885

“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.