SCHEMBL117476

SCHEMBL117476

O=C(Nc1cccc2nc(Cl)ccc12)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.62
PLAU P00749 1/20 0.51
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.46
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
ACVRL1 P37023 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
SCHEMBL115891 0.82 P2RX7 (0.60) P2RX7KMT2AGAANPC1SMN1; SMN2
SCHEMBL114390 0.79 P2RX7 (0.64) P2RX7HPGDKMT2AGAANPC1
SCHEMBL1845228 0.78 IGF1R (0.56) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL1847991 0.78 IGF1R (0.56) P2RX7HPGDKMT2AGAANPC1
SCHEMBL1973638 0.77 NPC1 (0.56) P2RX7HPGDKMT2AGAANPC1
SCHEMBL25805557 0.76 KMT2A (0.53) PLAUHPGDKMT2APKMGAA
SCHEMBL30521539 0.76 KMT2A (0.53) PLAUHPGDKMT2APKMGAA
SCHEMBL2241553 0.73 TRPV1 (0.45) P2RX7PLAUHPGDPKMGAA
SCHEMBL1199009 0.73 P2RX7 (1.00) P2RX7
SCHEMBL1199010 0.73 P2RX7 (0.66) P2RX7SMN1; SMN2ALDH1A1LMNA

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 388/4885PLAU 4777/4885HPGD 1779/4885

“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.