SCHEMBL6764643

SCHEMBL6764643

CC(=O)N1CCC(NC(=O)Cc2c(Cl)cccc2Cl)(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.44
SIGMAR1 Q99720 1/20 0.43
CYP2D6 P10635 4/20 0.42
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.39
SHMT1 P34896 2/20 0.39
SHMT2 P34897 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL6766371 0.92 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6767232 0.88 KMT2A (0.42) ALDH1A1MAPTKDM4EKMT2ASIGMAR1
SCHEMBL6762566 0.88 ALDH1A1 (0.49) ALDH1A1KMT2ASIGMAR1AKR1B1MEN1
SCHEMBL6846373 0.82 KMT2A (0.41) ALDH1A1KMT2ASIGMAR1CYP2D6AKR1B1
SCHEMBL9045730 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2ASIGMAR1
SCHEMBL6764637 0.81 SMN1; SMN2 (0.50) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6765253 0.81 CTSS (0.42) ALDH1A1MAPTKDM4EKMT2ASIGMAR1
SCHEMBL6765236 0.81 S1PR5 (0.46) KMT2ASIGMAR1AKR1B1
SCHEMBL6766304 0.80 SHMT1 (0.48) ALDH1A1KMT2ASIGMAR1CYP2D6SHMT1
SCHEMBL6771746 0.80 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides FISCHER REINER (DE) 2004-01-15 US disclosed
US-6555567-B1 2-oxo-3-aryl-4-hydroxy-1-aza-8-thiaspiro(4.5)decane derivatives of given formula; use as arthropodicide or nematicide BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6479489-B1 AN ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 EP disclosed
WO-1995001358-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-01-12 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 (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-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides DDT, HPD, CAT ALDH1A1 382/4885MAPT 4797/4885KDM4E 512/4885

“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.