SCHEMBL4870044

SCHEMBL4870044

NC1c2cc([N+](=O)[O-])ccc2CCC1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
GRIN2B Q13224 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
RAB9A P51151 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRA2A P08913 1/20 0.40
PNMT P11086 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
SCHEMBL6359153 1.00 HSP90AA1 (0.44) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL4873492 1.00 HSP90AA1 (0.44) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6575270 1.00 HSP90AA1 (0.44) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6338945 0.92 MEN1 (0.47) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6338942 0.92 MEN1 (0.47) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6339170 0.92 MEN1 (0.47) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL16105229 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL2760982 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL2760561 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL1292952 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A

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 HSP90AA1 1876/4885MEN1 1993/4885LMNA 4579/4885

“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.