SCHEMBL115271

SCHEMBL115271

CCn1c(=O)c(-c2ccccc2C)c(O)c2sc(OCCOC)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
PDE5A O76074 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 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
SCHEMBL115242 0.90 PDE5A (0.37) PDE5AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL115155 0.90 KDM4E (0.35) KMT2APDE5AALDH1A1LMNASMN1; SMN2
SCHEMBL115128 0.89 MEN1 (0.38) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL116138 0.89 PDE5A (0.36) PDE5AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL115259 0.89 PDE5A (0.33) PDE5AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL115127 0.82 PDE4B (0.38) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL113857 0.80 ALDH1A1 (0.38) KMT2APDE5AALDH1A1SMN1; SMN2MEN1
SCHEMBL113779 0.80 HEXA (0.40) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL113811 0.79 CASR (0.35) KMT2APDE5AALDH1A1SMN1; SMN2MEN1
SCHEMBL115255 0.79 SMN1; SMN2 (0.34) PDE5AALDH1A1LMNASMN1; SMN2TP53

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 KMT2A 175/4885PDE5A 2487/4885ALDH1A1 274/4885

“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.