SCHEMBL486405

SCHEMBL486405

CNC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 7/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 3/20 0.53
MAPT P10636 3/20 0.53
APEX1 P27695 1/20 0.53
HPGD P15428 2/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL12869168 0.79 LMNA (0.83) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL486694 0.78 LMNA (0.74) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL486154 0.78 NPSR1 (0.56) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL13284544 0.78 LMNA (0.54) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL486153 0.76 NPSR1 (0.84) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL9893121 0.76 GAA (0.57) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL486324 0.75 LMNA (1.00) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL14087599 0.74 NPSR1 (0.37) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL486054 0.74 NPSR1 (0.97) LMNANPSR1ALDH1A1GAAKDM4E
SCHEMBL486082 0.74 NPSR1 (0.90) LMNANPSR1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144769-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
EP-2188269-B1 ARYL SULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2014-05-07 EP disclosed
EP-2188269-B1 ARYL SULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2014-05-07 EP disclosed
US-8394805-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-12 US disclosed
US-8394805-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-12 US disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
US-20110098282-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098282-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
EP-2188269-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 EP disclosed
WO-2009021944-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021944-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
US-6162918-A Xanthene and acridine derivatives HOFFMANN-LA ROCHE INC. (US) 2000-12-19 US disclosed
US-5969139-A INHIBITORS OF HERPES SIMPLEX VIRUS THYMIDINE KINASE HOFFMANN-LA ROCHE INC. (US) 1999-10-19 US disclosed
EP-0823426-A1 Xanthene and acridine derivatives and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-02-11 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 (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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A LMNA 1165/4885NPSR1 761/4885ALDH1A1 303/4885
US-20220144769-A1 COMPOUND CBR3, SFXN3, CBR1 LMNA 4541/4885NPSR1 1073/4885ALDH1A1 928/4885
US-20110098282-A1 NEW COMPOUNDS BRDT, AURKAIP1, ABCG2 LMNA 3622/4885NPSR1 2321/4885ALDH1A1 2750/4885

“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.