SCHEMBL4525941

SCHEMBL4525941

CC(C)(C)OC(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4513449 0.84 ALDH1A1 (0.44) KMT2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL4535829 0.80 CYP1A2 (0.45) MAPTALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL4511972 0.78 SIGMAR1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL4535886 0.76 CHRNB2 (0.56) MEN1KMT2AALDH1A1
SCHEMBL3207648 0.76 KMT2A (0.67) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL15145789 0.75 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL31135773 0.75 SMN1; SMN2 (0.64) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL2341651 0.75 KMT2A (0.73) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3222110 0.75 SMN1; SMN2 (0.64) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL30760336 0.74 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1GAA

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 MEN1 763/4885KMT2A 2980/4885MAPT 3649/4885

“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.