SCHEMBL115067

SCHEMBL115067

Cc1ccccc1-c1c(O)c2ncsc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
GRM4 Q14833 1/20 0.36
GRM1 Q13255 2/20 0.35
KCNH2 Q12809 1/20 0.35
TACR1 P25103 3/20 0.34
TDP2 O95551 1/20 0.34
KCNA3 P22001 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 1/20 0.33
PTPN11 Q06124 1/20 0.32
CASR P41180 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL115096 0.85 KDM4E (0.36) BRD4GRM1KCNH2LMNASMN1; SMN2
SCHEMBL114962 0.81 SMN1; SMN2 (0.34) BRD4GRM1KCNH2LMNASMN1; SMN2
SCHEMBL114970 0.81 CASR (0.34) BRD4GRM1KCNH2KCNA3KMT2A
SCHEMBL115100 0.81 METAP2 (0.40) TACR1
SCHEMBL113710 0.80 BRD4 (0.38) BRD4GRM4GRM1KCNH2TACR1
SCHEMBL115228 0.76 BRD4 (0.42) BRD4TACR1KCNA3LMNAKMT2A
SCHEMBL113860 0.75 BRD4 (0.38) BRD4GRM4TACR1TDP2KCNA3
SCHEMBL116066 0.74 KCNA3 (0.40) BRD4TACR1TDP2KCNA3LMNA
SCHEMBL115124 0.74 LMNA (0.40) BRD4GRM4TACR1TDP2KCNA3
SCHEMBL115197 0.73 BRD4 (0.38) BRD4TACR1TDP2KCNA3LMNA

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 BRD4 3524/4885GRM4 617/4885GRM1 210/4885

“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.