SCHEMBL7083340

SCHEMBL7083340

CC(=O)c1cc(N)cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 4/20 0.52
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.45
ESR1 P03372 1/20 0.44
CYP19A1 P11511 1/20 0.44
ESR2 Q92731 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3291219 0.86 ALDH1A1 (0.66) NPC1ALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL7137680 0.86 ALDH1A1 (0.66) NPC1ALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL8501497 0.84 ALDH1A1 (0.63) NPC1ALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL8501501 0.84 ALDH1A1 (0.63) NPC1ALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL1172383 0.83 SMN1; SMN2 (0.78) NPC1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL18983905 0.83 NPC1 (0.59) NPC1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL91307 0.83 NPC1 (0.59) NPC1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL8415167 0.82 SMN1; SMN2 (0.47) NPC1ALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL1997115 0.81 NPC1 (0.70) NPC1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL27571763 0.81 NPC1 (0.66) NPC1ALDH1A1SMN1; SMN2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
EP-1013636-B1 Preparation of allylic aromatic compounds AMERSHAM HEALTH AS (NO) 2003-07-09 EP disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6284894-B1 AROMATIC AMINE IS REACTED FIRST WITH A NITRITE AND THEN WITH AN ALLYLIC OLEFIN HAVING AN ELIMINATABLE TERMINAL SUBSTITUENT. NYCOMED IMAGING AS (NO) 2001-09-04 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-1013636-A1 Preparation of allylic aromatic compounds NYCOMED IMAGING AS (NO) 2000-06-28 EP disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 NPC1 586/4885ALDH1A1 1815/4885SMN1; SMN2 4763/4885

“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.