SCHEMBL3751594

SCHEMBL3751594

[CH2]Oc1ccc(Br)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 1/20 0.41
MAPT P10636 2/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AHR P35869 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.31
CSNK2A1 P68400 1/20 0.31
MAOB P27338 1/20 0.31
EPAS1 Q99814 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4800898 0.78 NPC1 (0.33) MAPTNPC1L3MBTL1
SCHEMBL1145315 0.78 HSP90AA1 (0.48) MEN1KMT2ASMN1; SMN2AHRHSP90AA1
SCHEMBL30193796 0.77 CA12 (0.43) MAPTMEN1KMT2AAHRALDH1A1
SCHEMBL473959 0.77 CA12 (0.43) MAPTMEN1KMT2AAHRALDH1A1
SCHEMBL7110300 0.76 SLC6A4 (0.42) MAPTMEN1KMT2AAHRALDH1A1
SCHEMBL30393587 0.74 MAOA (0.48) CHRNA3MAPTMEN1KMT2ALMNA
SCHEMBL14636575 0.74 MAOA (0.48) CHRNA3MAPTMEN1KMT2ALMNA
SCHEMBL3759344 0.73 SOS1 (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3755105 0.73 CYP3A4 (0.46) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL788950 0.72 LTA4H (0.48) MAPTMEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT CHRNA3 4829/4885MAPT 2257/4885MEN1 1227/4885

“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.