SCHEMBL274241

SCHEMBL274241

O=Cc1cc(I)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.50
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
VCAM1 P19320 1/20 0.41
BACE1 P56817 1/20 0.39
TSHR P16473 2/20 0.38
ALDH3A1 P30838 1/20 0.38
EGFR P00533 1/20 0.38
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL1665195 0.85 ALDH1A1 (0.47) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL16838212 0.78 ALDH5A1 (0.59) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL1800032 0.78 ERN1 (0.65) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL6840900 0.77 TSHR (0.56) CYP3A4ALDH1A1MAPTALOX15HSD17B10
SCHEMBL371170 0.77 TSHR (0.62) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL8577695 0.77 CYP3A4 (0.47) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL564611 0.77 ATM (0.60) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL1014901 0.77 BACE1 (0.63) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL3894725 0.77 TDP1 (0.60) ERN1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL4941247 0.77 CYP3A4 (0.47) ERN1CYP3A4KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101219955-B Method for synthesizing o-nitrobenzaldehyde compounds SHANGHAI CHEMPARTNER CO LTD 2013-05-15 CN disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
CN-101896486-A Spiroindolinone derivatives HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
CN-101638371-A Composite method for 5-(N-secondary amine value)-2-nitrobenzaldehyde UNIV XIANGTAN 2010-02-03 CN disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
CN-101219955-A Method for synthesizing o-nitrobenzaldehyde compounds SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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 (2 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT ERN1 2608/4885CYP3A4 185/4885KDM4E 2534/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ERN1 974/4885CYP3A4 756/4885KDM4E 2117/4885

“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.