SCHEMBL4535348

SCHEMBL4535348

CCN(Cc1cc(C)cc(N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NLRP3 Q96P20 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSPO P30536 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
CETP P11597 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL6681863 0.85 GRM2 (0.39) HDAC1HDAC3HDAC2NCOR2TSPO
SCHEMBL6681914 0.81 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL14426298 0.81 HPGD (0.48) HDAC1HDAC3HDAC2NCOR2HPGD
SCHEMBL3156567 0.80 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2NLRP3
SCHEMBL4530344 0.80 AAK1 (0.34) MEN1KMT2ATSPOALDH1A1TSHR
SCHEMBL31226440 0.80 HDAC3 (0.37) HDAC1HDAC3HDAC2NCOR2NLRP3
SCHEMBL4511572 0.80 TSHR (0.41) HDAC1HDAC3HDAC2NCOR2HPGD
SCHEMBL8286119 0.79 HDAC3 (0.49) HDAC1HDAC3HDAC2NCOR2HPGD
SCHEMBL1099618 0.78 CETP (0.39) HDAC3MEN1KMT2ACETPHDAC8
SCHEMBL28666185 0.77 HDAC3 (0.46) HDAC1HDAC3HDAC2NCOR2NLRP3

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 HDAC1 949/4885HDAC3 775/4885HDAC2 2501/4885

“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.