SCHEMBL3586162

SCHEMBL3586162

CCc1c(N)c(C(N)=O)nn1CCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
STING1 Q86WV6 1/20 0.40
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAOB P27338 2/20 0.38
ADORA2A P29274 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAU P00749 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPY1R P25929 1/20 0.35
RECQL P46063 1/20 0.35
NPY2R P49146 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3580899 0.86 ALDH1A1 (0.38) HDAC1STING1F13A1TGM2TGM1
SCHEMBL6442051 0.77 PTGDR2 (0.46) KDM4EPTGDR2MEN1KMT2AALDH1A1
SCHEMBL7367495 0.72 ALDH1A1 (0.58) HDAC1F13A1TGM2TGM1MAPT
SCHEMBL2724661 0.71 ALDH1A1 (0.53) HDAC1F13A1TGM2TGM1MAPT
SCHEMBL11538894 0.70 ALDH1A1 (0.49) HDAC1F13A1TGM2TGM1MAPT
SCHEMBL1329140 0.70 HDAC1 (0.52) HDAC1F13A1TGM2TGM1MAPT
Hydrochloric Acid SCHEMBL8696150 0.69 HDAC1 (0.51) HDAC1F13A1TGM2TGM1MAPT
SCHEMBL20794169 0.69 ALDH1A1 (0.52) HDAC1F13A1TGM2TGM1MAPT
Hydrochloric Acid SCHEMBL1880511 0.69 HDAC1 (0.51) HDAC1F13A1TGM2TGM1MAPT
SCHEMBL13181407 0.69 LTB4R (0.56) F13A1TGM2TGM1MAPTALDH1A1

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 HDAC1 2003/4885STING1 2124/4885F13A1 900/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B HDAC1 2003/4885STING1 2124/4885F13A1 900/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A HDAC1 1680/4885STING1 2320/4885F13A1 1730/4885

“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.