SCHEMBL6798804

SCHEMBL6798804

Cc1ccc(CNc2nc(CCOCC(=O)O)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
PDE5A O76074 1/20 0.46
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PRKCI P41743 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6795549 0.93 PDE5A (0.54) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6791118 0.91 MAPT (0.50) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6790737 0.91 KMT2A (0.49) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6797560 0.91 KMT2A (0.49) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6214440 0.91 KMT2A (0.64) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6796897 0.87 MAPT (0.46) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6798810 0.87 MAPT (0.45) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6796341 0.85 PDE5A (0.44) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6797221 0.85 MAPT (0.44) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL6796700 0.85 PTPN12 (0.49) KMT2AMEN1HTTSMN1; SMN2MAPT

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 KMT2A 3197/4885MEN1 2082/4885HTT 4610/4885

“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.