SCHEMBL4870039

SCHEMBL4870039

NC(=O)C1c2cc([N+](=O)[O-])ccc2CCC1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.44
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN2B Q13224 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL2760560 0.86 CHRNB2 (0.46) SIRT2HSP90AA1ALDH1A1KMT2AMAPT
SCHEMBL2760559 0.86 CHRNB2 (0.46) SIRT2HSP90AA1ALDH1A1KMT2AMAPT
SCHEMBL2760981 0.86 CHRNB2 (0.46) SIRT2HSP90AA1ALDH1A1KMT2AMAPT
SCHEMBL6795622 0.83 HSP90AA1 (0.44) SIRT2HSP90AA1ALDH1A1KMT2AMAPT
SCHEMBL4873492 0.83 HSP90AA1 (0.44) HSP90AA1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4870044 0.83 HSP90AA1 (0.44) HSP90AA1ALDH1A1KMT2AMAPTMEN1
SCHEMBL6359153 0.83 HSP90AA1 (0.44) HSP90AA1ALDH1A1KMT2AMAPTMEN1
SCHEMBL6575270 0.83 HSP90AA1 (0.44) HSP90AA1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4872494 0.80 BRD4 (0.37) KMT2AMAPTKDM4EGAAMEN1
SCHEMBL6616312 0.79 HSP90AA1 (0.49) HSP90AA1ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 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-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 SIRT2 3359/4885HSP90AA1 1876/4885ALDH1A1 251/4885

“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.