SCHEMBL3611240

SCHEMBL3611240

COc1cc(F)c(-c2c(OC)nnc(C)c2-c2cccs2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 5/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
PDE10A Q9Y233 2/20 0.36
PDE2A O00408 1/20 0.36
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE4A P27815 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL3618629 0.91 RPS6KB2 (0.36) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL3610666 0.78 MAPT (0.37) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL3331310 0.75 RAC1 (0.39) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL3608511 0.75 MAPT (0.35) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL12394014 0.74 MEN1 (0.49) KDM4EKMT2AMAPTMEN1MAPK1
SCHEMBL3618362 0.73 KDM4E (0.36) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL2036865 0.72 GRM8 (0.37) PDE10APDE2ACYP1A2
SCHEMBL2319119 0.72 GRM8 (0.33) KMT2AMEN1PDE10APDE2ACYP1A2
SCHEMBL2321107 0.72 ERN1 (0.39) KMT2AMEN1PDE3BPDE3ACYP1A2
SCHEMBL2036866 0.71 PDE2A (0.40) NPC1RAB9APDE10APDE2APDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113464-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US claimed
EP-2041113-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-01 EP claimed
WO-2008009406-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 WO claimed
US-20100113464-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2041113-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-01 EP disclosed
WO-2008009406-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 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 (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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 NPC1 1421/4885RAB9A 709/4885ALDH1A1 445/4885
US-20100113464-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, CBR3, C5 NPC1 1989/4885RAB9A 3045/4885ALDH1A1 1380/4885

“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.