SCHEMBL4706566

SCHEMBL4706566

CCOC(=O)C(=O)Cc1c([N+](=O)[O-])ccc(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
CES2 O00748 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
CYP2C9 P11712 1/20 0.37
GPR174 Q9BXC1 1/20 0.37

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
SCHEMBL11741221 0.83 LMNA (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL11738621 0.83 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2CTDSP1LMNA
SCHEMBL1716245 0.81 CES2 (0.46) MAPTCES2ACHECES1ALDH1A1
SCHEMBL27816496 0.80 LMNA (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL31016530 0.78 L3MBTL1 (0.48) MAPTCES2ACHECES1ALDH1A1
SCHEMBL13930332 0.78 L3MBTL1 (0.48) MAPTCES2ACHECES1ALDH1A1
SCHEMBL11742487 0.77 MAPT (0.42) MAPTCES2ACHECES1ALDH1A1
SCHEMBL22391943 0.76 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL16585208 0.76 LMNA (0.44) MAPTCES2ACHECES1ALDH1A1
SCHEMBL31016515 0.76 LMNA (0.44) MAPTCES2ACHECES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
EP-1625129-B1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2008-03-05 EP disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 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 (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-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents TYMP, RPL35, EIF2AK2 MAPT 2799/4885CES2 1783/4885ACHE 2930/4885

“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.