SCHEMBL4521071

SCHEMBL4521071

Cc1cc(CN(C(=O)OC(C)(C)C)C(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
NR1D1 P20393 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20568116 0.85 CETP (0.46)
SCHEMBL6679733 0.85 TSHR (0.44) TSHRALDH1A1LMNAMAPTMMP1
SCHEMBL3153356 0.83 NR1D1 (0.49) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4511572 0.82 TSHR (0.41) TSHRALDH1A1LMNAMAPTMMP1
SCHEMBL4530344 0.80 AAK1 (0.34) TSHRALDH1A1
SCHEMBL1099570 0.79 CETP (0.38) TSHRALDH1A1LMNAMAPTMMP1
SCHEMBL13825505 0.75 MEN1 (0.43) ALDH1A1LMNAMAPT
SCHEMBL6237571 0.72 NR1D1 (0.47) MMP1MMP2MMP9MMP8MMP13
SCHEMBL15155803 0.72 TSHR (0.46) TSHRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5002591 0.72

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 TSHR 2524/4885ALDH1A1 2449/4885LMNA 1025/4885

“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.