SCHEMBL6790285

SCHEMBL6790285

O=C(O)COCCc1nc(NCc2ccc([N+](=O)[O-])c(Cl)c2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.38
PDE5A O76074 1/20 0.38
PTGS2 P35354 6/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL6212166 0.92 HTT (0.42) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6798810 0.90 MAPT (0.45) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6798250 0.87 MEN1 (0.42) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6797221 0.86 MAPT (0.44) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6790737 0.85 KMT2A (0.49) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6214190 0.85 HTT (0.41) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6795549 0.83 PDE5A (0.54) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6796947 0.83 MEN1 (0.45) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6212430 0.82 HTT (0.42) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6791788 0.82 PTGS2 (0.44) MAPTHTTSMN1; SMN2MEN1KMT2A

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 4610/4885SMN1; SMN2 1225/4885

“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.