SCHEMBL7218173

SCHEMBL7218173

CCN(CC)C(=O)c1c(Cl)cccc1N(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CD274 Q9NZQ7 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
GHSR Q92847 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL7223771 0.89 ALDH1A1 (0.36) ALDH1A1POLBTP53RORC
SCHEMBL7218228 0.79 ALDH1A1 (0.42) ALDH1A1HPGDMAPTNPSR1POLB
SCHEMBL7224993 0.76 KEAP1 (0.47) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL1031475 0.75 OPRM1 (0.49) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL1829990 0.73 ALDH1A1 (0.48) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL7223138 0.73 ALDH1A1 (0.45) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL1826634 0.73 TP53 (0.49) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL7218268 0.72 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL7856726 0.72 GHSR (0.42) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL7224716 0.71 ALDH1A1 (0.43) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT

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 HSP90AA1 2354/4885HSP90AB1 1941/4885ALDH1A1 3549/4885

“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.