SCHEMBL7440269

SCHEMBL7440269

O=C(O)CCCC(=O)NCCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.82
TSHR P16473 1/20 0.82
HDAC3 O15379 4/20 0.79
HDAC1 Q13547 4/20 0.79
HDAC2 Q92769 4/20 0.79
HDAC10 Q969S8 4/20 0.79
HDAC11 Q96DB2 4/20 0.79
HDAC8 Q9BY41 4/20 0.79
HDAC6 Q9UBN7 4/20 0.79
NCOR2 Q9Y618 3/20 0.79
HDAC4 P56524 3/20 0.79
HDAC9 Q9UKV0 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.71
TAAR1 Q96RJ0 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
F13A1 P00488 1/20 0.64
ATM Q13315 1/20 0.63
TRPV1 Q8NER1 1/20 0.62
HDAC7 Q8WUI4 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61

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
SCHEMBL7280705 0.97 HDAC3 (0.77) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL7441298 0.95 HDAC3 (0.79) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL7441870 0.95 HDAC3 (0.79) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL7436977 0.95 HDAC3 (0.79) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL4074353 0.95 HDAC3 (0.87) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL8355337 0.92 LMNA (0.91) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL8359273 0.90 LMNA (1.00) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL166980 0.89 L3MBTL1 (0.71) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL13073412 0.89 HDAC3 (0.78) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL8356049 0.88 LMNA (0.85) LMNATSHRHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
EP-3118211-A1 AMIDE COMPOUNDS AND METHODS FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2017-01-18 EP disclosed
WO-2014018913-A2 SANTACRUZAMATE A COMPOSITIONS AND ANALOGS AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2014-01-30 WO disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 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 (1 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 LMNA 129/4885TSHR 2783/4885HDAC3 309/4885

“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.