SCHEMBL115242

SCHEMBL115242

COCCOc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
TACR1 P25103 2/20 0.35
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 3/20 0.33
DCTPP1 Q9H773 1/20 0.33
GRM1 Q13255 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GHSR Q92847 2/20 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
SCHEMBL115271 0.90 KMT2A (0.35) PDE5AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL113857 0.88 ALDH1A1 (0.38) PDE5AALDH1A1SMN1; SMN2TACR1HSD17B10
SCHEMBL113848 0.87 GRM1 (0.36) ALDH1A1TACR1HPGDKDM4EKCNH2
SCHEMBL115259 0.86 PDE5A (0.33) PDE5AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL116138 0.86 PDE5A (0.36) PDE5AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL115235 0.81 BRD4 (0.38) ALDH1A1SMN1; SMN2TACR1HPGDKDM4E
SCHEMBL116175 0.79 HEXA (0.40) ALDH1A1TACR1HSD17B10HPGDKDM4E
SCHEMBL115155 0.79 KDM4E (0.35) PDE5AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL115354 0.78 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EEPHB4
SCHEMBL115128 0.78 MEN1 (0.38) ALDH1A1LMNASMN1; SMN2TSHRTACR1

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 PDE5A 2487/4885ALDH1A1 274/4885LMNA 3651/4885

“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.