SCHEMBL115126

SCHEMBL115126

CCn1c(=O)c(-c2ccccc2C)c(O)c2scnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ LYN P07948 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ METAP2 P50579 2/20 0.34
▸ TNFRSF1A P19438 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL115943 0.86 CASR (0.34) METAP2BRD4CASRKCNH2GRM1
SCHEMBL115974 0.86 METAP2 (0.42) METAP2
SCHEMBL113626 0.86 SMN1; SMN2 (0.34) SMN1; SMN2BRD4LMNA
SCHEMBL113874 0.85 CYP1A2 (0.38) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL116200 0.85 BRD4 (0.33) ALDH1A1HPGDBRD4HEXAHEXB
SCHEMBL113710 0.85 BRD4 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDSRC
SCHEMBL115096 0.81 KDM4E (0.36) PDE4BPDE7AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL115127 0.81 PDE4B (0.38) PDE4BPDE7AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL113779 0.79 HEXA (0.40) PDE4BPDE7AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL115155 0.78 KDM4E (0.35) PDE4BPDE7AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 — — 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 PDE4B 3085/4885PDE7A 3343/4885KDM4E 525/4885

“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.

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