SCHEMBL7224966

SCHEMBL7224966

CCN(C)C(=O)c1ccccc1NC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
MAPT P10636 2/20 0.45
CXCR2 P25025 2/20 0.43
GAA P10253 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
ABCC1 P33527 2/20 0.39
KMT2A Q03164 2/20 0.39
CLCN2 P51788 1/20 0.38
HPGD P15428 1/20 0.38
CXCR1 P25024 1/20 0.38
TP53 P04637 1/20 0.38
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7223562 0.86 MAPT (0.51) ADRA1DADRA1AADRA1BMAPTCXCR2
SCHEMBL9256785 0.78 ADRA1D (0.51) ADRA1DADRA1AADRA1BMAPTCXCR2
SCHEMBL10987377 0.78 MT-CO2 (0.49) ADRA1DADRA1AADRA1BMAPTCXCR2
SCHEMBL769767 0.77 ELANE (0.51) MAPTCXCR2KMT2ACLCN2HPGD
SCHEMBL474163 0.76 ADRA1D (0.48) ADRA1DADRA1AADRA1BMAPTKMT2A
SCHEMBL1906473 0.74 CLCN2 (0.53) ADRA1AMAPTKMT2ACLCN2HPGD
SCHEMBL13788818 0.74 PDK1 (0.54) CXCR2
SCHEMBL10837558 0.74 ADRA1D (0.53) ADRA1DADRA1AADRA1BMAPTKMT2A
SCHEMBL7217336 0.73 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BMAPTGAA
SCHEMBL7223232 0.73 KDM4E (0.54) MAPTKMT2ACLCN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US disclosed
US-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
US-20010046975-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-11-29 US disclosed
US-6252078-B1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-06-26 US disclosed
US-6248894-B1 SUBSTITUTED PYRROLES MONSANTO COMPANY 2001-06-19 US disclosed
EP-1088481-A2 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2001-04-04 EP disclosed
US-6166057-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-12-26 US disclosed
US-6133252-A THIOPHENE AND N-BONDED HETEROCYCLIC COMPOUND CHOSEN FROM THE GROUP CONSISTING OF MORPHOLINE, PIPERAZINE, PIPERIDINE, AND PYRROLIDINE, EACH OPTIONALLY SUBSTITUTED WITH C1-C6 ALKYL GROUPS MONSANTO COMPANY (US) 2000-10-17 US disclosed
US-6028101-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-02-22 US disclosed
US-RE36562-E CARBOXAMIDE-SUBSTITUTED THIOPHENES MONSANTO COMPANY (US) 2000-02-08 US disclosed
US-5998466-A PREPLANTING MONSANTO COMPANY (US) 1999-12-07 US disclosed
US-5849723-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-12-15 US disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 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-20010046975-A1 Fungicides for the control of take-all disease of plants CNPY3, NAT1, CBR3 ADRA1D 1808/4885ADRA1A 2981/4885ADRA1B 2705/4885

“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.