SCHEMBL951923

SCHEMBL951923

CC(Cc1cccc(N)c1)NC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ADRB2 P07550 4/20 0.51
LMNA P02545 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL11507644 0.85 ADRB2 (0.49) NPC1RAB9AADRB2LMNAKMT2A
Hydrochloric Acid SCHEMBL11508056 0.84 ADRB2 (0.48) NPC1RAB9AADRB2LMNAKMT2A
SCHEMBL17076730 0.84 PTGS1 (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2143263 0.83 NPC1 (0.56) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL2747345 0.83 NPC1 (0.56) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL2747349 0.83 NPC1 (0.56) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL9186911 0.82 KCNH2 (0.59) NPC1RAB9AADRB2LMNAKMT2A
SCHEMBL9186919 0.82 KCNH2 (0.59) NPC1RAB9AADRB2LMNAKMT2A
SCHEMBL5914427 0.82 NPC1 (0.51) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL3930204 0.82 NPC1 (0.51) NPC1RAB9ALMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2254860-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-12-01 EP disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
WO-2009106351-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-09-03 WO disclosed
EP-2096105-A1 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor Laboratorios Almirall, S.A. (ES) 2009-09-02 EP disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
EP-1727544-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM Sanofi-Aventis (FR) 2006-12-06 EP disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
WO-2005099703-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM SANOFI-AVENTIS (FR) 2005-10-27 WO disclosed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 NPC1 551/4885RAB9A 2782/4885ADRB2 1755/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 NPC1 551/4885RAB9A 2782/4885ADRB2 1755/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 NPC1 3984/4885RAB9A 4086/4885ADRB2 2948/4885

“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.