SCHEMBL114390

SCHEMBL114390

CCC(=O)Nc1cccc2nc(Cl)ccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.64
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.43
CLK1 P49759 1/20 0.43
GPR35 Q9HC97 1/20 0.42
GALR3 O60755 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 0.83 P2RX7 (0.60) P2RX7SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8628732 0.83 P2RX7 (0.45) P2RX7SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL117476 0.79 P2RX7 (0.62) P2RX7SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL8402846 0.77 ALDH1A1 (0.74) P2RX7SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL1199009 0.76 P2RX7 (1.00) P2RX7
SCHEMBL1199010 0.76 P2RX7 (0.66) P2RX7SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4263785 0.76 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL30521641 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAHTTKDM4E
SCHEMBL25805469 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAHTTKDM4E
SCHEMBL30668538 0.73 MAPT (0.68) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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 6 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
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
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
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 388/4885SMN1; SMN2 1921/4885ALDH1A1 103/4885

“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.