SCHEMBL6797627

SCHEMBL6797627

O=C(O)C[S+]([O-])Cc1nc(NCc2ccccc2Cl)c2c3c(sc2n1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
PDE5A O76074 1/20 0.41
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PRKCI P41743 1/20 0.39

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
SCHEMBL6793310 0.90 MEN1 (0.45) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6212974 0.89 PDE5A (0.53) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6217416 0.89 MAPT (0.43) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6213381 0.88 PRKCI (0.46) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6210438 0.87 KMT2A (0.48) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6792490 0.86 MAPT (0.44) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6216473 0.84 PTGS2 (0.47) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6214819 0.83 KMT2A (0.48) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6211763 0.83 KMT2A (0.61) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6215369 0.83 PTGS2 (0.45) PTGS2MEN1KMT2AMAPTALDH1A1

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 PTGS2 1016/4885MEN1 2082/4885KMT2A 3197/4885

“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.