SCHEMBL1449903

SCHEMBL1449903

Cc1nc(C)c(C(=O)Nc2ccccc2C(C)CC(C)C)s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 6/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
F10 P00742 1/20 0.43
MAPT P10636 2/20 0.42

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
SCHEMBL3258073 0.89 RAB9A (0.42) RAB9ARECQLKMT2AMEN1NPC1
SCHEMBL13304854 0.88 KMT2A (0.65) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL7786621 0.86 RAB9A (0.40) RAB9ARECQLKMT2AMEN1NPC1
SCHEMBL3254300 0.86 KMT2A (0.44) RAB9ARECQLKMT2AMEN1NPC1
SCHEMBL13295628 0.86 RAB9A (0.53) RAB9ARECQLKMT2AMEN1NPC1
SCHEMBL7786610 0.85 MAPT (0.46) RAB9ARECQLKMT2AMEN1SMN1; SMN2
SCHEMBL6777681 0.80 RAB9A (0.48) RAB9ARECQLKMT2AMEN1NPC1
SCHEMBL3250285 0.75 SMN1; SMN2 (0.37) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL28465404 0.75 USP2 (0.39) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL13295631 0.75 KMT2A (0.62) RAB9AKMT2AMEN1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10310577-A None JP disclosed
JP-10251240-A None JP disclosed
EP-1771069-B1 N-(2-(HYDROXYMETHYL) PHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MICROBICIDAL ACTIVE INGREDIENTS FOR PHYTO-PROTECTION AND THE PROTECTION OF MATERIALS BAYER CROPSCIENCE AG (DE) 2014-05-07 EP disclosed
EP-1716099-B1 HALOALKYLCARBOXAMIDES FOR COMBATTING MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2014-03-05 EP disclosed
US-7910746-B2 Haloalkyl carboxamides BAYER CROPSCIENCE AG (DE) 2011-03-22 US disclosed
US-7842710-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2010-11-30 US disclosed
US-20080058389-A1 Carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20070203148-A1 Haloalkyl Carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-30 US disclosed
EP-0824099-B1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS INC (JP) 2001-11-07 EP disclosed
US-5965774-A CONTROLLING PLANT DISEASES AGAINST BOTRYTIS CINEREA, POWDERY MILDEW, PYRICULARIA ORYZAE OF RICE PLANT MITSUI CHEMICALS, INC. (JP) 1999-10-12 US disclosed
US-5914344-A Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-06-22 US disclosed
JP-H10310577-A SUBSTITUTED CARBOXYLIC ACID ANILIDE DERIVATIVE AND PLANT DISEASE INJURY CONTROLLING AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUI CHEM INC 1998-11-24 JP disclosed
JP-H10251240-A SUBSTITUTED CARBOXYLIC ACID ANILIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MITSUI CHEM INC 1998-09-22 JP disclosed
EP-0824099-A1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-02-18 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 (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-20080058389-A1 Carboxamides CBR3, CBR1, H1-10 RAB9A 480/4885RECQL 1255/4885KMT2A 835/4885
US-20070203148-A1 Haloalkyl Carboxamides HDHD5, MRPL21, CBR3 RAB9A 1993/4885RECQL 510/4885KMT2A 332/4885

“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.