SCHEMBL4290505

SCHEMBL4290505

C=C(Cc1ccc(OC)c([N+](=O)[O-])c1)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.49
TTR P02766 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL6986744 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL2976618 0.82 GAA (0.60) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL2976612 0.82 GAA (0.60) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL6293793 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL8729423 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL2742576 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL9449799 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL1667910 0.80 TTR (0.68) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL16233087 0.80 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL31090163 0.80 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2LMNAHTTGAA

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 ALDH1A1 2811/4885SMN1; SMN2 3010/4885LMNA 2801/4885

“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.