SCHEMBL3787713

SCHEMBL3787713

COc1ccccc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.60
▸ AKR1C2 P52895 1/20 0.60
▸ ADRA2A P08913 3/20 0.54
▸ ADRA2B P18089 3/20 0.54
▸ ADRA2C P18825 3/20 0.54
▸ MAPT P10636 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 1/20 0.51
▸ TUBB2A Q13885 1/20 0.51

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
SCHEMBL27618573 0.87 AMY1A (0.57) AKR1C3AKR1C2ADRA2AADRA2BADRA2C
SCHEMBL4325597 0.84 AKR1C3 (0.55) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL3466908 0.84 TSHR (0.54) AKR1C3AKR1C2MAPTALDH1A1TUBB4A
SCHEMBL8070772 0.82 AKR1C3 (0.52) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL3791466 0.82 MGAM (0.53) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL3787842 0.82 AKR1C3 (0.52) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL16076893 0.82 AKR1C3 (0.65) AKR1C3AKR1C2L3MBTL1ALDH1A1RAB9A
SCHEMBL3832194 0.82 ADORA3 (0.56) ADRA2AADRA2BADRA2CMAPTL3MBTL1
SCHEMBL8063661 0.82 AKR1C3 (0.51) AKR1C3AKR1C2ADRA2AADRA2BADRA2C
SCHEMBL8802211 0.81 AKR1C3 (0.54) AKR1C3AKR1C2ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101857587-A 2-aryl benzothiophene derivatives or pharmaceutically acceptable salts thereof, preparation method thereof, and phrmaceutical composition for the diagnosis or treatment of degenerative brain disease containing the same as an active ingredient SGU HOLDINGS CO LTD 2010-10-13 — — CN claimed
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 — — US disclosed
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 — — US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 — — EP disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
CN-101857587-A 2-aryl benzothiophene derivatives or pharmaceutically acceptable salts thereof, preparation method thereof, and phrmaceutical composition for the diagnosis or treatment of degenerative brain disease containing the same as an active ingredient SGU HOLDINGS CO LTD 2010-10-13 — — CN disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 — — EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
EP-1082305-A4 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2001-09-26 — — EP disclosed
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 — — US disclosed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 — — EP disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 — — WO disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 — — WO disclosed
US-4631119-A Reversible, electrochemically-switched lariat ethers W. R. GRACE & CO. (US) 1986-12-23 — — 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 (3 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885ADRA2A 373/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885ADRA2A 373/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885ADRA2A 373/4885

“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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