SCHEMBL3580899

SCHEMBL3580899

CCc1c([N+](=O)[O-])c(C(N)=O)nn1CCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
STING1 Q86WV6 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC1 Q13547 1/20 0.35
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PLA2G2A P14555 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAOB P27338 1/20 0.32
ADORA2A P29274 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
SCHEMBL3586162 0.86 HDAC1 (0.42) ALDH1A1KMT2ASTING1F13A1TGM2
SCHEMBL6443373 0.79 ALDH1A1 (0.44) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
Bicarbonate SCHEMBL7386267 0.76 ALDH1A1 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
Bicarbonate SCHEMBL7386268 0.76 ALDH1A1 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6442557 0.71 SMN1; SMN2 (0.43) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6200741 0.69 ALDH1A1 (0.39) ALDH1A1KMT2ACYP3A4KDM4E
SCHEMBL7367495 0.68 ALDH1A1 (0.58) ALDH1A1KMT2AF13A1TGM2TGM1
SCHEMBL6200618 0.67 SMN1; SMN2 (0.50) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL2724661 0.67 ALDH1A1 (0.53) ALDH1A1KMT2AF13A1TGM2TGM1
SCHEMBL3588860 0.67 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MAPT

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 10 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-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

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 ALDH1A1 758/4885KMT2A 4553/4885STING1 2124/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B ALDH1A1 758/4885KMT2A 4553/4885STING1 2124/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A ALDH1A1 507/4885KMT2A 4526/4885STING1 2320/4885

“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.