SCHEMBL6792490

SCHEMBL6792490

O=C(O)C[S+]([O-])Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HTT P42858 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 2/20 0.41
PDE5A O76074 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 5/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
PARP14 Q460N5 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL6210438 0.91 KMT2A (0.48) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6212719 0.90 MAPT (0.43) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6214190 0.90 HTT (0.41) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6212974 0.89 PDE5A (0.53) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6214819 0.87 KMT2A (0.48) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6211763 0.87 KMT2A (0.61) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6212533 0.87 PDE5A (0.44) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6793310 0.87 MEN1 (0.45) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6797627 0.86 PTGS2 (0.44) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6796924 0.86 PTPN12 (0.48) MAPTHTTMEN1KMT2ASMN1; SMN2

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 MAPT 4330/4885HTT 4610/4885MEN1 2082/4885

“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.