SCHEMBL6690449

SCHEMBL6690449

CC(C)c1c([N+](=O)[O-])c(C(N)=O)nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 3/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
CCNA2 P20248 1/20 0.32

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
SCHEMBL2911330 0.86 ALDH1A1 (0.39) SMN1; SMN2PKMALDH1A1MAPTMAPK1
Iodomethane SCHEMBL3389060 0.81 MEN1 (0.40) SMN1; SMN2PKMALDH1A1MAPTMAPK1
SCHEMBL16833262 0.79 MAPT (0.53) SMN1; SMN2PKMALDH1A1MAPTMAPK1
SCHEMBL21625506 0.78 PKM (0.41) SMN1; SMN2PKMALDH1A1MAPTMAPK1
SCHEMBL6200618 0.75 SMN1; SMN2 (0.50) SMN1; SMN2PKMALDH1A1MAPTMAPK1
SCHEMBL6632048 0.75 ADORA2A (0.36) PKMALDH1A1HPGDMEN1KMT2A
SCHEMBL6994179 0.73 MEN1 (0.49) SMN1; SMN2PKMMAPTCYP1A2MEN1
SCHEMBL6443970 0.73 SMN1; SMN2 (0.58) SMN1; SMN2PKMALDH1A1MAPTMAPK1
SCHEMBL6994221 0.71 SMN1; SMN2 (0.40) SMN1; SMN2PKMALDH1A1MAPTMAPK1
SCHEMBL15566566 0.71 SMN1; SMN2 (0.40) SMN1; SMN2PKMALDH1A1MAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440073-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PFIZER INC. 2003-10-16 US disclosed
WO-2003037899-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS PFIZER LIMITED (GB) 2003-05-08 WO 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-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PDE9A, PDE2A, PDE3A SMN1; SMN2 1204/4885PKM 1839/4885ALDH1A1 796/4885

“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.