SCHEMBL6796947

SCHEMBL6796947

O=C(O)COCCc1nc(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 3/20 0.42
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 4/20 0.39
HPGD P15428 2/20 0.38
PDE5A O76074 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL6796443 0.92 MAPT (0.43) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6214119 0.92 MEN1 (0.46) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6791788 0.90 PTGS2 (0.44) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6790737 0.90 KMT2A (0.49) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6798810 0.87 MAPT (0.45) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6215666 0.85 MEN1 (0.47) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6795549 0.84 PDE5A (0.54) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6797221 0.84 MAPT (0.44) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6217795 0.84 MAPT (0.44) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6797560 0.83 KMT2A (0.49) MEN1KMT2AMAPTHTTNPSR1

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.