SCHEMBL4076198

SCHEMBL4076198

Nc1ccc2cccnc2c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 5/20 0.50
KDM4E B2RXH2 3/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
HSP90AA1 P07900 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
CCR1 P32246 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
HTT P42858 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL28263607 0.82 ERN1 (0.46) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL69869 0.81 ALDH1A1 (0.70) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL29906219 0.81 ALDH1A1 (0.70) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL16040593 0.81 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL31057838 0.81 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL27908512 0.79 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL9197665 0.79 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL11430231 0.79 LMNA (0.56) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL16383149 0.77 ALDH1A1 (0.70) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL3756602 0.76 SLC40A1 (0.52) ALDH1A1LMNAKDM4EMMP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
CN-101426779-B Pesticide containing bicyclic bisamide structure SYNGENTA PARTICIPATIONS AG 2013-08-21 CN disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
EP-1984354-B1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
EP-1984354-B1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
CN-101426779-A Pesticide containing bicyclic bisamide structure SYNGENTA PARTICIPATIONS AG (CH) 2009-05-06 CN disclosed
EP-1984354-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE Syngeta Participations AG (CH) 2008-10-29 EP disclosed
WO-2007093402-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 WO disclosed
WO-2007093402-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 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-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE DDT, ACHE, GAP43 ALDH1A1 729/4885LMNA 534/4885KDM4E 2264/4885

“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.