SCHEMBL3588860

SCHEMBL3588860

CCc1c([N+](=O)[O-])c(C(N)=O)nn1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.32
DUT P33316 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3579847 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL6442557 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL27492967 0.76 SMN1; SMN2 (0.41) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL6363517 0.75 GAA (0.46) SMN1; SMN2MAPTALDH1A1
SCHEMBL3573728 0.74 SMN1; SMN2 (0.47) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL6200618 0.74 SMN1; SMN2 (0.50) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL6629620 0.72 SMN1; SMN2 (0.38) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL6811222 0.71 SMN1; SMN2 (0.37) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL6443373 0.70 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1
SCHEMBL6447551 0.69 LMNA (0.38) SMN1; SMN2CNR1CNR2MAPTALDH1A1

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 8 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-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

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 1628/4885CNR1 1668/4885CNR2 2125/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885CNR1 1668/4885CNR2 2125/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 1627/4885CNR1 1738/4885CNR2 2484/4885

“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.