SCHEMBL10272541

SCHEMBL10272541

Cc1ccc2c(n1)C(=O)N(Cc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
DRD2 P14416 1/20 0.48
GRM5 P41594 1/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRM2 Q14416 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DHPS P49366 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 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
SCHEMBL5864164 0.85 HTR1A (0.51) HTR1AHTR2ADRD2GRM5DDB1
SCHEMBL10272537 0.82 GRM5 (0.44) HTR1AHTR2AGRM5DDB1CRBN
SCHEMBL10209778 0.79 ALDH1A1 (0.44) HTR1AHTR2ADRD2GRM5DDB1
SCHEMBL29789726 0.78 HTR1A (0.48) HTR1AHTR2ADRD2GRM5DDB1
SCHEMBL5863249 0.78 HTR1A (0.48) HTR1AHTR2ADRD2GRM5DDB1
SCHEMBL10313029 0.75 GAA (0.44) HTR1AHTR2ADRD2GRM2L3MBTL1
SCHEMBL8248998 0.74 DDB1 (0.59) GRM5DDB1CRBNPDE4APDE4B
SCHEMBL15120602 0.74 GRM5 (0.56) GRM5DDB1CRBNPOLBL3MBTL1
SCHEMBL5863910 0.72 CCR2 (0.43) HTR1AHTR2ADRD2GRM5
SCHEMBL22383666 0.72 HTR1A (0.41) HTR1AHTR2ADRD2

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-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 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-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HTR1A 485/4885HTR2A 916/4885DRD2 2314/4885

“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.