SCHEMBL23465664

SCHEMBL23465664

O=C(NCCF)c1c(Cl)ccc(CNO)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 3/20 0.36
ALDH2 P05091 4/20 0.36
HPGD P15428 4/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOB P27338 1/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
GAA P10253 1/20 0.32
P2RX7 Q99572 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 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
SCHEMBL23465663 0.84 PTGS2 (0.41) POLBALDH2HPGDHTTALDH1A1
SCHEMBL23465654 0.83 MLYCD (0.39) POLBALDH2P2RX7
SCHEMBL23466035 0.82 PRKCZ (0.40) POLBALDH2HPGDALDH1A1MEN1
SCHEMBL23465660 0.82 SMN1; SMN2 (0.40) ALDH2HPGDALDH1A1
SCHEMBL20050671 0.78 SLC6A2 (0.42) SLC6A2SLC6A3POLBHPGDHTT
SCHEMBL30739918 0.78 SLC6A2 (0.42) SLC6A2SLC6A3POLBHPGDHTT
SCHEMBL23466038 0.78 PTGES (0.35) ALDH2MEN1KMT2ANPC1P2RX7
SCHEMBL23465266 0.75 RAB9A (0.43) POLBHTTMEN1KMT2ANPC1
SCHEMBL23465267 0.74 GAA (0.44) POLBHPGDALDH1A1MEN1KMT2A
SCHEMBL28316805 0.73 TDP1 (0.46) SLC6A2SLC6A3HPGDHTTALDH1A1

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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD SLC6A2 4530/4885SLC6A3 4504/4885POLB 3630/4885

“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.