SCHEMBL4531980

SCHEMBL4531980

CCOc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
NR1H4 Q96RI1 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 1/20 0.34
THRB P10828 1/20 0.34
HTR2A P28223 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL1098330 0.90 CETP (0.38) CETPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1099570 0.85 CETP (0.38) CETPMAPTMEN1KMT2ALMNA
SCHEMBL4525683 0.85 CETP (0.38) CETPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4523432 0.84 CETP (0.38) CETPMAPTLMNANR1H4ALDH1A1
SCHEMBL1099406 0.84 NR1H4 (0.40) CETPMAPTLMNANR1H4ALDH1A1
SCHEMBL4525824 0.83 CETP (0.38) CETPMAPTSMN1; SMN2LMNANR1H4
SCHEMBL4535829 0.81 CYP1A2 (0.45) MAPTSMN1; SMN2LMNAALDH1A1HSD11B1
SCHEMBL12525830 0.75 REN (0.42)
SCHEMBL15417882 0.75 REN (0.42) NR1H4
SCHEMBL3161090 0.75 MEN1 (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 CETP 3817/4885MAPT 3649/4885MEN1 763/4885

“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.