SCHEMBL3466478

SCHEMBL3466478

Clc1ccc(C2OC2(Cn2ncnc2SSc2ncnn2CC2(c3ccccc3Cl)OC2c2ccc(Cl)cc2Cl)c2ccccc2Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 3/20 0.32
DPP4 P27487 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
CYP2C9 P11712 1/20 0.31
P2RX7 Q99572 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2559324 0.92 NPSR1 (0.37) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL3466001 0.92 NPSR1 (0.37) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL13811421 0.90 ALDH1A1 (0.33) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL3468920 0.89 HTT (0.35) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL3466563 0.87 ALDH1A1 (0.39) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL3621170 0.86 ALDH1A1 (0.39) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL2560797 0.86 ALDH1A1 (0.39) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL14673935 0.85 ALDH1A1 (0.36) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL13111990 0.85 ALDH1A1 (0.36) HTTNPSR1ALDH1A1THRBMAPT
SCHEMBL2553779 0.82 ALDH1A1 (0.38) HTTNPSR1ALDH1A1THRBMAPT

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-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 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-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 HTT 3721/4885NPSR1 1733/4885ALDH1A1 14/4885

“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.