SCHEMBL9400665

SCHEMBL9400665

O=Cc1cccn1Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 2/20 0.56
EGLN1 Q9GZT9 2/20 0.56
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
THRB P10828 1/20 0.50
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
DBH P09172 1/20 0.42
KDM4E B2RXH2 3/20 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
SCHEMBL1244152 0.87 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL28469757 0.85 ALDH1A1 (0.54) ALDH1A1MAPTTHRBSMN1; SMN2HTT
SCHEMBL17894526 0.85 KDM4E (0.58) EGLN1ALDH1A1MAPTPOLBKMT2A
SCHEMBL28477450 0.84 ALDH1A1 (0.49) VEGFAEGLN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28469317 0.84 MAPT (0.55) ALDH1A1MAPTTHRBPOLBMEN1
SCHEMBL18002172 0.82 HDAC8 (0.54) ALDH1A1SMN1; SMN2HTTDRD2DRD4
SCHEMBL25753482 0.82 ALDH1A1 (0.48) VEGFAEGLN1ALDH1A1SMN1; SMN2HTT
SCHEMBL1609235 0.80 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6057467 0.80 DRD2 (0.54) ALDH1A1POLBSMN1; SMN2KDM4EDRD2
SCHEMBL28471906 0.80 HDAC3 (0.50) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047226-B Matrine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP claimed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO claimed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO disclosed
WO-1994014762-A1 OXIME ETHER DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
US-5326883-A Oxime ether derivatives having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1994-07-05 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB VEGFA 3262/4885EGLN1 1239/4885ALDH1A1 1734/4885

“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.