SCHEMBL6767232

SCHEMBL6767232

COC(=O)C1(NC(=O)Cc2c(Cl)cccc2Cl)CCN(C(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.36
AKR1B1 P15121 1/20 0.36
THRB P10828 1/20 0.36
PLA2G2A P14555 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
SCHEMBL6764637 0.92 SMN1; SMN2 (0.50) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6764643 0.88 ALDH1A1 (0.46) KMT2AALDH1A1MAPTKDM4ESIGMAR1
SCHEMBL6765259 0.88 ALDH1A1 (0.47) KMT2AALDH1A1SMN1; SMN2SIGMAR1ATM
SCHEMBL7160837 0.83 KMT2A (0.51) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6771260 0.82 S1PR5 (0.47) SIGMAR1
SCHEMBL9043393 0.82 ALDH1A1 (0.42) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8907206 0.81 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2SIGMAR1ATM
SCHEMBL6764666 0.81 KMT2A (0.44) KMT2AALDH1A1MAPTSMN1; SMN2SIGMAR1
SCHEMBL6766371 0.81 ALDH1A1 (0.51) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6767239 0.81 ALDH1A1 (0.59) KMT2AALDH1A1MAPTKDM4ESMN1; 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 5 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

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 KMT2A 1459/4885ALDH1A1 382/4885MAPT 4797/4885

“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.