SCHEMBL695322

SCHEMBL695322

CC(C)(C)c1cc([N+](=O)[O-])cc2c1NC(=O)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CASP3 P42574 5/20 0.49
CAPN9 O14815 1/20 0.49
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPRC P08575 3/20 0.38
S100A4 P26447 2/20 0.38
CES1 P23141 4/20 0.37
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
MAPT P10636 1/20 0.36
TGM2 P21980 1/20 0.36
DNMT1 P26358 1/20 0.36
CASP7 P55210 2/20 0.34

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
SCHEMBL3738428 0.80 CES1 (0.56) MEN1KMT2ACASP3CAPN9CYP3A4
SCHEMBL9016208 0.78 CAPN9 (0.54) MEN1KMT2ACASP3CAPN9CYP3A4
SCHEMBL8006090 0.76 CES1 (0.59) MEN1KMT2ACASP3CAPN9CYP3A4
SCHEMBL2830356 0.76 CES1 (0.42) L3MBTL1CASP3CES1ALDH1A1ALDH2
SCHEMBL14995633 0.74 ALDH1A1 (0.49) L3MBTL1S100A4CES1ALDH1A1ALDH2
SCHEMBL6324638 0.68 SMN1; SMN2 (0.36) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL6324632 0.68 SMN1; SMN2 (0.36) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL6325007 0.68 MAPT (0.39) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL6325003 0.68 MAPT (0.39) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL3236587 0.68 MEN1 (1.00) MEN1KMT2AGALR3HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
EP-2421845-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 MEN1 3996/4885KMT2A 4259/4885GALR3 4817/4885

“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.