SCHEMBL4531901

SCHEMBL4531901

O=[N+]([O-])c1cc(CO)cc(CNC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
CXCR4 P61073 1/20 0.54
GRIN2B Q13224 1/20 0.47
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39
KDM1A O60341 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL1097218 0.82 POLB (0.55) POLBCXCR4GRIN2BBCHEACHE
SCHEMBL1098879 0.82 POLB (0.55) POLBCXCR4GRIN2BBCHEACHE
SCHEMBL561018 0.80 CYP19A1 (0.48) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL1099162 0.79 ALDH1A1 (0.61) POLBCXCR4GRIN2BBCHEACHE
SCHEMBL4531997 0.77 POLB (0.86) POLBGRIN2BBCHEACHEBACE1
SCHEMBL4526961 0.76 NPBWR1 (0.50) POLBCXCR4GRIN2BBCHEACHE
SCHEMBL716259 0.76 CYP19A1 (0.54) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL28181000 0.76 BCHE (0.66) POLBGRIN2BBCHEACHEBACE1
SCHEMBL18407603 0.73 TSHR (0.56) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL30319435 0.73 TSHR (0.56) POLBKMT2ALMNAALDH1A1KDM4E

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 POLB 2260/4885CXCR4 36/4885GRIN2B 4055/4885

“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.