SCHEMBL6793310

SCHEMBL6793310

O=C(O)C[S+]([O-])Cc1nc(NCc2ccc(Cl)cc2Cl)c2c3c(sc2n1)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.42
PTGS2 P35354 5/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
LMNA P02545 2/20 0.37
PDE5A O76074 1/20 0.36
P2RX7 Q99572 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6797627 0.90 PTGS2 (0.44) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6210438 0.89 KMT2A (0.48) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6792490 0.87 MAPT (0.44) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6215666 0.85 MEN1 (0.47) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6212974 0.84 PDE5A (0.53) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6214119 0.83 MEN1 (0.46) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6212719 0.83 MAPT (0.43) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6211763 0.82 KMT2A (0.61) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6214819 0.82 KMT2A (0.48) MEN1KMT2AMAPTPTGS2HTT
SCHEMBL6796947 0.82 MEN1 (0.45) MEN1KMT2AMAPTPTGS2HTT

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 MEN1 2082/4885KMT2A 3197/4885MAPT 4330/4885

“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.