SCHEMBL22639757

SCHEMBL22639757

Cc1cc(O)nc(NCCc2c[nH]c3ccccc23)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.56
HTR1A P08908 8/20 0.56
DRD2 P14416 7/20 0.56
HTR7 P34969 7/20 0.56
HTR6 P50406 7/20 0.56
ADORA2A P29274 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
SLC2A1 P11166 1/20 0.54
RAD52 P43351 1/20 0.54
EIF2AK2 P19525 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 2/20 0.51

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
SCHEMBL3388226 0.79 HTR1A (0.52) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL20557915 0.79 HTR1A (0.63) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL30579382 0.79 HTR1A (0.63) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL28046116 0.77 HTR2A (0.64) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL13498020 0.77 RAB9A (0.62) ADORA2ARAB9AKMT2AALDH1A1HTT
SCHEMBL34462989 0.76 HTR1A (0.50) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL30198268 0.76 PAK4 (0.53) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL12696468 0.76 PAK4 (0.53) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL30579418 0.75 CCNT1 (0.67) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL7504046 0.75 SMN1; SMN2 (0.52) HTR6ADORA2AKMT2APOLBKDM4E

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 HTR2A 3340/4885HTR1A 3508/4885DRD2 4668/4885

“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.