SCHEMBL7934305

SCHEMBL7934305

COc1cccc(/C=C/C(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.66
FOS P01100 1/20 0.66
JUN P05412 1/20 0.66
BCHE P06276 1/20 0.66
CYP1A2 P05177 4/20 0.61
CYP2D6 P10635 4/20 0.61
CYP1A1 P04798 3/20 0.61
CYP1B1 Q16678 3/20 0.61
ABCG2 Q9UNQ0 3/20 0.61
MAOA P21397 2/20 0.61
NR1H4 Q96RI1 3/20 0.59
RELA Q04206 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL27497698 1.00 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL1383790 1.00 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL29244511 1.00 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL16410054 0.89 MAOB (0.57) MAOBFOSJUNBCHECYP1A2
SCHEMBL3580365 0.86 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL3580362 0.86 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL29822711 0.86 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL80786 0.85 FOS (0.72) MAOBFOSJUNBCHECYP1A2
SCHEMBL2632249 0.85 MAOB (0.68) MAOBFOSJUNBCHECYP1A2
SCHEMBL80787 0.85 FOS (0.72) MAOBFOSJUNBCHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867572-A proteasome inhibitors and methods of use thereof CEPHALON INC (US) 2006-11-22 CN claimed
CN-1217943-C New use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2005-09-07 CN claimed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 CN claimed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20160102047-A1 SUBSTITUTED N-PENTANAMIDE COMPOUNDS, PREPARATION METHOD AND THE USE THEREOF TOPHARMAN SHANGHAI CO., LTD. (CN) 2016-04-14 US disclosed
EP-2968308-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA Shire Human Genetic Therapies, Inc. (US) 2016-01-20 EP disclosed
WO-2015009768-A1 PHOTOPATTERNABLE MATERIALS AND RELATED ELECTRONIC DEVICES AND METHODS POLYERA CORPORATION (US) 2015-01-22 WO disclosed
WO-2014159637-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2014-10-02 WO disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
EP-1771453-B1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
CN-1217943-C New use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2005-09-07 CN disclosed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 CN 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-20160102047-A1 SUBSTITUTED N-PENTANAMIDE COMPOUNDS, PREPARATION METHOD AND THE USE THEREOF PNMT, TPMT, HTR3A MAOB 385/4885FOS 2763/4885JUN 3624/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 MAOB 2515/4885FOS 1010/4885JUN 749/4885

“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.