SCHEMBL6796700

SCHEMBL6796700

O=C(O)COCCc1nc(NCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
PDE5A O76074 2/20 0.40
CHRM4 P08173 1/20 0.40
PTGS2 P35354 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6796892 0.92 PTPN12 (0.50) PTPN12PTPN22ALDH1A1MAPTNPSR1
SCHEMBL5247449 0.90 PTPN12 (0.51) PTPN12PTPN22ALDH1A1MAPTNPSR1
SCHEMBL5253984 0.88 PTPN12 (0.50) PTPN12PTPN22ALDH1A1MAPTNPSR1
SCHEMBL5254121 0.88 PTPN12 (0.49) PTPN12PTPN22ALDH1A1MAPTNPSR1
SCHEMBL5247483 0.87 PTPN12 (0.49) PTPN12PTPN22ALDH1A1MAPTNPSR1
SCHEMBL6795549 0.86 PDE5A (0.54) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL5251584 0.86 PTPN12 (0.49) PTPN12PTPN22ALDH1A1MAPTNPSR1
SCHEMBL6798810 0.86 MAPT (0.45) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL6798377 0.86 PTPN12 (0.55) PTPN12PTPN22ALDH1A1MAPTNPSR1
SCHEMBL6790737 0.85 KMT2A (0.49) ALDH1A1MAPTNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780867-B2 THEY EXHIBIT SPECIFIC INHIBITION OF CGMP PHOSPHODIESTERASE (PDE V) MERCK PATENT GMBH (DE) 2004-08-24 US disclosed
US-20030187260-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2003-10-02 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-20030187260-A1 Thienopyrimidines TYMP, DPYD, IMPDH1 PTPN12 1112/4885PTPN22 1078/4885ALDH1A1 164/4885

“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.