SCHEMBL3583425

SCHEMBL3583425

CCCc1nn(CCOC)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
TERT O14746 5/20 0.40
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL3579717 0.90 SMN1; SMN2 (0.52) SMN1; SMN2TERTKDM4EPOLBCTDSP1
SCHEMBL1295 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TERTKDM4EPOLBCTDSP1
SCHEMBL3586257 0.81 TERT (0.43) SMN1; SMN2TERTKDM4EPOLBKMT2A
SCHEMBL1452 0.80 SMN1; SMN2 (1.00) SMN1; SMN2TERTL3MBTL1KMT2AMEN1
SCHEMBL331219 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EPOLBCTDSP1TDP1
SCHEMBL28038421 0.79 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EPOLBCTDSP1TDP1
SCHEMBL1527735 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EPOLBCTDSP1TDP1
SCHEMBL3573728 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TERTKDM4EPOLBCTDSP1
SCHEMBL6713099 0.77 SMN1; SMN2 (0.58) SMN1; SMN2TERTKDM4EPOLBKMT2A
SCHEMBL6338203 0.76 SMN1; SMN2 (0.60) SMN1; SMN2TERTPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PFIZER INC 2006-12-28 US disclosed
EP-1220856-B1 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES PFIZER LTD (GB) 2004-12-08 EP disclosed
US-20040152712-A1 Pharmaceutically active compounds PFIZER INC. 2004-08-05 US disclosed
US-6677335-B1 PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE DERIVATIVES; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; SEXUAL AND UROGENITAL DISORDERS PFIZER INC 2004-01-13 US disclosed
EP-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 EP disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 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 (3 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-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885TERT 4584/4885KDM4E 1883/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885TERT 4584/4885KDM4E 1883/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 1627/4885TERT 4292/4885KDM4E 1524/4885

“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.