SCHEMBL1611209

SCHEMBL1611209

Fc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SSTR5 P35346 3/20 0.34
KDM4E B2RXH2 2/20 0.33
APAF1 O14727 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL16274185 0.92 RECQL (0.43) HTTPKMTDP1ABL1RIN1
SCHEMBL588568 0.88 RECQL (0.36) HTTPKMTDP1ABL1RIN1
SCHEMBL3123277 0.88 HTT (0.43) HTTPKMTDP1ABL1RIN1
SCHEMBL1611047 0.88 RECQL (0.36) HTTPKMTDP1ABL1RIN1
SCHEMBL28971266 0.88 RECQL (0.36) HTTPKMTDP1ABL1RIN1
SCHEMBL28908198 0.88 ADCY1 (0.38) HTTPKMTDP1SSTR5MAPT
SCHEMBL3695100 0.88 RECQL (0.44) PKMPOLBRECQLNPC1RAB9A
Ammonia Solution, Strong SCHEMBL27964628 0.87 HTT (0.42) HTTPKMTDP1ABL1RIN1
SCHEMBL1610490 0.87 NISCH (0.37) PKMRECQLKDM4EMAPT
SCHEMBL3648777 0.87 RECQL (0.34) PKMRECQLKDM4E

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
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
EP-2332937-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330106-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-08 EP disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 US disclosed
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS HTT 2966/4885PKM 2930/4885TDP1 4312/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA HTT 3473/4885PKM 1841/4885TDP1 4183/4885

“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.