SCHEMBL3476282

SCHEMBL3476282

[O-][n+]1ccc(OCc2cn3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.67
▸ NPC1 O15118 7/20 0.67
▸ RAB9A P51151 7/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ ALDH1A1 P00352 4/20 0.63
▸ LMNA P02545 2/20 0.63
▸ PDE10A Q9Y233 2/20 0.50
▸ MAPT P10636 2/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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
SCHEMBL17694678 0.86 KDM4E (0.78) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11427962 0.82 KDM4E (0.72) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4726835 0.81 NPC1 (0.75) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15877219 0.80 SMN1; SMN2 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23488101 0.76 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23488102 0.75 KDM4E (0.80) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1423790 0.74 KDM4E (0.65) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9517104 0.73 KDM4E (0.60) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3476577 0.72 KDM4E (0.58) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8816839 0.71 SMN1; SMN2 (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 — — US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 — — EP disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 — — US disclosed
CN-101945872-B (1-azinone) -substituted pyridoindoles as mch antagonists ALBANY MOLECULAR RES INC 2014-07-23 — — CN disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 — — US disclosed
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 — — EP disclosed
CN-101945872-A (1-azinone) -substituted pyridoindoles as mch antagonists ALBANY MOLECULAR RES INC 2011-01-12 — — CN disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 — — US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — 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 (5 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 KDM4E 3377/4885NPC1 773/4885RAB9A 1463/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KDM4E 3548/4885NPC1 577/4885RAB9A 1275/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 KDM4E 3377/4885NPC1 773/4885RAB9A 1463/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KDM4E 3548/4885NPC1 577/4885RAB9A 1275/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KDM4E 3548/4885NPC1 577/4885RAB9A 1275/4885

“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.

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