SCHEMBL115891

SCHEMBL115891

O=C(O)Nc1cccc2nc(Cl)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.60
IGF1R P08069 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.45
PABPC1 P11940 2/20 0.43
EIF4H Q15056 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL114390 0.83 P2RX7 (0.64) P2RX7MEN1KMT2AHTTALDH1A1
SCHEMBL117476 0.82 P2RX7 (0.62) P2RX7MEN1KMT2AALDH1A1LMNA
SCHEMBL2833318 0.81 MEN1 (0.46) P2RX7MEN1KMT2APOLBHTT
SCHEMBL10859020 0.81 MEN1 (0.63) MEN1KMT2APOLBL3MBTL1HTT
SCHEMBL5923678 0.77 P2RX7 (0.47) P2RX7IGF1RMEN1KMT2APOLB
SCHEMBL8620986 0.75 MEN1 (0.73) MEN1KMT2APABPC1EIF4HL3MBTL1
SCHEMBL1199009 0.74 P2RX7 (1.00) P2RX7
SCHEMBL1199010 0.74 P2RX7 (0.66) P2RX7HTTALDH1A1LMNASMN1; SMN2
SCHEMBL13040587 0.74 KEAP1 (0.54) P2RX7HTTNPC1CYP1A2CYP2D6
SCHEMBL12701071 0.74 NR4A1 (0.50) P2RX7MEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
EP-2424838-A1 PESTICIDAL ARYLPYRROLIDINES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR P2RX7 388/4885IGF1R 2923/4885MEN1 3664/4885

“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.