SCHEMBL14920924

SCHEMBL14920924

O=[N+]([O-])/C=C/c1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.45
RXRA P19793 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
ALOX12 P18054 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.34
VCP P55072 1/20 0.34
PRMT1 Q99873 1/20 0.34
HPGD P15428 1/20 0.34
NTSR1 P30989 1/20 0.34
CCR6 P51684 1/20 0.34
MCL1 Q07820 1/20 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
SCHEMBL14920926 1.00 FBP1 (0.45) FBP1RXRAHSP90AA1ALDH1A1MAPT
SCHEMBL2132111 0.78 PRMT1 (0.43) FBP1RXRAHSP90AA1ALDH1A1MAPT
SCHEMBL2132119 0.78 PRMT1 (0.43) FBP1RXRAHSP90AA1ALDH1A1MAPT
SCHEMBL2129117 0.78 ALDH1A1 (0.42) FBP1RXRAHSP90AA1ALDH1A1MAPT
SCHEMBL2129111 0.78 ALDH1A1 (0.42) FBP1RXRAHSP90AA1ALDH1A1MAPT
SCHEMBL2130421 0.77 FBP1 (0.41) FBP1RXRAALDH1A1MAPTLMNA
SCHEMBL2130426 0.77 FBP1 (0.41) FBP1RXRAALDH1A1MAPTLMNA
SCHEMBL1085828 0.76 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3783377 0.75 MIF (0.41) RXRAALDH1A1MAPTLMNAHPGD
SCHEMBL3778055 0.75 MIF (0.41) RXRAALDH1A1MAPTLMNAHPGD

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-9301526-B2 Compounds with nematicidal activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-05 US disclosed
US-9301526-B2 Compounds with nematicidal activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-05 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2773215-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
EP-2773203-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
US-20140249149-A1 Compounds with Nematicidal Activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-04 US disclosed
US-20140249149-A1 Compounds with Nematicidal Activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-04 US disclosed
WO-2013064461-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064461-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064460-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064460-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 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-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY ACHE, TUBA3C, NAAA FBP1 2007/4885RXRA 3391/4885HSP90AA1 1937/4885
US-20140249149-A1 Compounds with Nematicidal Activity ACHE, NAAA, TUBA3C FBP1 1314/4885RXRA 2518/4885HSP90AA1 2848/4885

“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.