SCHEMBL4476418

SCHEMBL4476418

Cc1cc([N+](=O)[O-])ccc1OC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CHEK2 O96017 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
PIK3CD O00329 5/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL30962804 0.94 ALDH1A1 (0.49) PDE4BALDH1A1LMNAMAPTPIK3CD
SCHEMBL30912375 0.94 ALDH1A1 (0.49) PDE4BALDH1A1LMNAMAPTPIK3CD
SCHEMBL1813964 0.90 ALDH1A1 (0.50) PDE4BALDH1A1LMNAMAPTNPC1
SCHEMBL4218331 0.89 PDE4B (0.56) PDE4BALDH1A1LMNAMAPTPIK3CD
SCHEMBL13419624 0.89 GPR119 (0.51) PDE4BALDH1A1LMNAMAPTCHEK2
SCHEMBL4204576 0.89 PDE4B (0.56) PDE4BALDH1A1LMNAMAPTPIK3CD
SCHEMBL20694220 0.89 PDE4B (0.48) PDE4BALDH1A1LMNAMAPTCHEK2
SCHEMBL20694272 0.89 PDE4B (0.48) PDE4BALDH1A1LMNAMAPTCHEK2
SCHEMBL4465377 0.88 ALDH1A1 (0.54) PDE4BALDH1A1LMNAMAPTGPR119
SCHEMBL31663792 0.85 PIK3CD (0.45) PDE4BALDH1A1LMNAMAPTCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO disclosed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 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 (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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY PDE4B 1462/4885ALDH1A1 237/4885LMNA 577/4885

“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.