SCHEMBL94424

SCHEMBL94424

O=c1cc(OCc2ccc(Cl)cn2)cc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.52
ABL1 P00519 1/20 0.52
PPARG P37231 1/20 0.52
RIN1 Q13671 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MCHR1 Q99705 13/20 0.42
MAP4K4 O95819 1/20 0.42
DAO P14920 1/20 0.40
PDE10A Q9Y233 1/20 0.39
SOD1 P00441 1/20 0.39
P2RX3 P56373 1/20 0.38

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
SCHEMBL1366971 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL12950126 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL12289077 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94421 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL15238559 0.82 NSD2 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1366072 0.80 MCHR1 (0.41) MCHR1DAOSOD1
SCHEMBL4047944 0.80 NSD2 (0.49) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1003502 0.79 NSD2 (0.71) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1004869 0.79 L3MBTL1 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL153303 0.77 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286193-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2020-05-27 EP disclosed
US-10329296-B2 Indole derivatives RICHTER GEDEON NYRT. (HU) 2019-06-25 US disclosed
US-20180093989-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2018-04-05 US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
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-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
EP-2822937-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH-RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-12-21 EP disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 WO disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 WO disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 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 (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-10329296-B2 Indole derivatives TPH1, MCHR1, MC1R NSD2 2797/4885ABL1 850/4885PPARG 873/4885
US-20180093989-A1 INDOLE DERIVATIVES MC1R, MCHR1, TPH1 NSD2 2768/4885ABL1 1079/4885PPARG 914/4885
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO NSD2 3355/4885ABL1 18/4885PPARG 405/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 NSD2 3647/4885ABL1 1074/4885PPARG 172/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 NSD2 3390/4885ABL1 985/4885PPARG 181/4885

“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.