SCHEMBL8628732

SCHEMBL8628732

CCC(=O)Nc1cccc2nc(I)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
GPR35 Q9HC97 1/20 0.42
RAB9A P51151 2/20 0.42
GALR3 O60755 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 4/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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) P2RX7GAAALDH1A1SMN1; SMN2HTT
SCHEMBL8402846 0.77 ALDH1A1 (0.74) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL4263785 0.76 ALDH1A1 (0.61) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30668538 0.73 MAPT (0.68) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1285414 0.73 MAPT (0.68) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8402836 0.72 HTT (0.75) GAAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL17778730 0.72 TRPV1 (0.50) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL11876012 0.71 RXFP1 (0.53) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL11900538 0.71 RAB9A (0.54) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8619629 0.70 MAPK1 (0.60) GAAALDH1A1SMN1; SMN2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US 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 388/4885GAA 1467/4885ALDH1A1 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.