SCHEMBL2028208

SCHEMBL2028208

Fc1cc2ccccc2nc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 1/20 0.45
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.43
HRH4 Q9H3N8 2/20 0.41
MAOA P21397 2/20 0.41
HRH1 P35367 1/20 0.41
MAOB P27338 1/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MBNL1 Q9NR56 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL22806612 0.80 ALDH1A1 (0.46) ALDH1A1HPGDHTTKDM4EGAA
SCHEMBL11731221 0.79 ALDH1A1 (0.49) ALDH1A1HPGDHTTKDM4EGAA
SCHEMBL14352717 0.78 KMT2A (0.50) ALDH1A1HPGDHTTKDM4EGAA
SCHEMBL28214650 0.77 ALDH1A1 (0.46) ALDH1A1HPGDHTTKDM4EGAA
SCHEMBL14360658 0.76 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL28118305 0.76 GAA (0.56) ALDH1A1HPGDHTTKDM4EGAA
SCHEMBL30162825 0.74 HTT (0.44) ALDH1A1HPGDHTTKDM4EGAA
SCHEMBL2172354 0.74 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL29204419 0.73 ALDH1A1 (0.43) ALDH1A1HPGDHTTKDM4EGAA
Hydrochloric Acid SCHEMBL28823670 0.73 ALDH1A1 (0.41) ALDH1A1HPGDHTTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US disclosed
EP-2516403-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS Imperial Innovations Limited (GB) 2012-10-31 EP disclosed
WO-2011077095-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-06-30 WO 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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 ALDH1A1 3113/4885HPGD 1470/4885HTT 1641/4885

“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.