SCHEMBL5458078

SCHEMBL5458078

CN1CC(C)(C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HSPA9 P38646 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP6 P55212 2/20 0.45
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP4 P49662 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
GAA P10253 3/20 0.42
ALDH1A1 P00352 7/20 0.41
AKR1B1 P15121 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
ESPL1 Q14674 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SNCA P37840 1/20 0.40
KMT2A Q03164 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
SCHEMBL5477312 0.87 LMNA (0.48) LMNAHSPA9L3MBTL1CASP6CASP1
SCHEMBL1654554 0.79 NOTUM (0.57) LMNAHSPA9GAAALDH1A1SIRT2
SCHEMBL13234025 0.79 ALDH1A1 (0.47) LMNAHSPA9L3MBTL1CASP6CASP1
SCHEMBL9593368 0.78 ALDH1A1 (0.51) LMNAHSPA9L3MBTL1CASP6CASP1
SCHEMBL795900 0.76 POLB (0.40) LMNAHSPA9L3MBTL1CASP6CASP1
SCHEMBL2062014 0.75 ALDH1A1 (0.48) LMNAHSPA9L3MBTL1CASP6CASP1
SCHEMBL13234154 0.74 POLB (0.47) LMNAL3MBTL1GAAALDH1A1TDP1
SCHEMBL28931189 0.73 MAPT (0.43) LMNAHSPA9L3MBTL1CASP6CASP1
SCHEMBL20335481 0.73 LMNA (0.44) LMNAHSPA9L3MBTL1CASP6CASP1
SCHEMBL9917021 0.73 SLC6A2 (0.42) L3MBTL1ALDH1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105873919-A Substituted uracils as chymase inhibitors 拜耳医药股份有限公司 2016-08-17 CN disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
EP-1678173-A2 4-HETEROBICYCLYLAMINO-SUBSTITUTED QUINAZOLINES AND ANALOGUES THEREOF AS CAPSAICIN-ANTAGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP disclosed
WO-2005023807-A2 4 - HETEROBICYCLYAMINO - SUBSTITUTED QUINAZOLINES AND ANALOGUES THEROF AS CAPSAICIN - ANTAGONISTS NEUROGEN CORPORATION (US) 2005-03-17 WO disclosed
EP-1299391-B1 INDOLINOSPIROPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE (US) 2004-12-29 EP disclosed
US-6803471-B2 USEFUL AS PHOTOCHROMIC COMPOUNDS; COVALENTLY ATTACHED TO WANG RESINS AND METHOD OF ATTACHING; OPHTHALMIC LENSES JOHNSON & JOHNSON VISION CARE, INC. 2004-10-12 US disclosed
EP-1299391-A2 INDOLINOSPIROPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE Johnson & Johnson Vision Care, Inc. (US) 2003-04-09 EP disclosed
US-6521753-B1 Indolinospiropyran compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE, INC. 2003-02-18 US disclosed
US-20020087010-A1 Indolinospiropyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2002-07-04 US disclosed
WO-2001092265-A2 INDOLINOSPIROPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2001-12-06 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 (2 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 LMNA 1870/4885HSPA9 3642/4885L3MBTL1 2321/4885
US-20020087010-A1 Indolinospiropyran compounds and methods for their manufacture DHPS, IDO1, INMT LMNA 2416/4885HSPA9 3079/4885L3MBTL1 4820/4885

“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.