SCHEMBL3979896

SCHEMBL3979896

Nn1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.58
ALOX5 P09917 1/20 0.58
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SRD5A2 P31213 1/20 0.51
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MAOB P27338 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 2/20 0.46
LCK P06239 1/20 0.46
AS3MT Q9HBK9 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL1400791 0.82 NPC1 (0.63) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL3193186 0.81 MAPK14 (0.61) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL17602338 0.81 ROCK1 (0.64) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL27639042 0.79 ALOX5 (0.55) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL8362532 0.79 SRD5A2 (0.55) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL21244774 0.78 NPC1 (0.56) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL17602263 0.78 MEN1 (0.56) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL5483649 0.78 SRD5A2 (0.57) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL4191518 0.77 MEN1 (0.54) ROCK1ALOX5RAB9ANPC1MEN1
SCHEMBL7927758 0.76 PPARD (0.56) ROCK1ALOX5RAB9ANPC1MEN1

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
US-5565579-A NEUROPROTECTIVE AGENT HOECHST MARION ROUSSEL INC. (US) 1996-10-15 US claimed
CN-100579963-C Process for preparing N-amino substituted heterocyclic compounds AVENTIS PHARMA INC 2010-01-13 CN disclosed
EP-1678135-B1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMA INC (US) 2009-05-13 EP disclosed
CN-101391976-A Process for preparing N-amino substituted heterocyclic compounds AVENTIS PHARMA INC (US) 2009-03-25 CN disclosed
CN-1890213-A Process for preparing N-amino substituted heterocyclic compounds AVENTIS PHARMA INC (US) 2007-01-03 CN disclosed
US-7112682-B2 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2006-09-26 US disclosed
EP-1678135-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS Aventis Pharmaceuticals, Inc. (US) 2006-07-12 EP disclosed
US-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-05-12 US disclosed
WO-2005035496-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2005-04-21 WO disclosed
EP-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
US-5646300-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-07-08 US disclosed
US-5591866-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL INC. (US) 1997-01-07 US disclosed
US-5565579-A NEUROPROTECTIVE AGENT HOECHST MARION ROUSSEL INC. (US) 1996-10-15 US disclosed
EP-0563916-B1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-08-16 EP disclosed
US-5319096-A Neuroprotective agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-06-07 US disclosed
EP-0563916-A1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-10-06 EP disclosed
US-5102891-A Useful for treating various memory dysfunctions such as alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-04-07 US disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed
US-5039811-A Analgesics, antidepressants, memory activators; condensation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 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 (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-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AADAT, KMO, KYNU ROCK1 1949/4885ALOX5 1524/4885RAB9A 1939/4885

“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.