SCHEMBL4064221

SCHEMBL4064221

COc1ccc(C)nc1N(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
TPMT P51580 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL15545335 0.82 L3MBTL1 (0.39) KDM4EL3MBTL1KMT2AALDH1A1CA12
SCHEMBL15545096 0.82 KDM4E (0.39) KDM4EL3MBTL1MEN1POLBKMT2A
SCHEMBL8234275 0.80 PAX8 (0.38) KDM4EL3MBTL1POLBALDH1A1GAA
SCHEMBL4073525 0.77 KDM4E (0.36) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2848178 0.72 KDM4E (0.36) KDM4EL3MBTL1POLBKMT2AALDH1A1
SCHEMBL3389616 0.72 KDM4E (0.53) KDM4EL3MBTL1MEN1POLBKMT2A
SCHEMBL4076665 0.69 KDM4E (0.46) KDM4EL3MBTL1MEN1POLBKMT2A
SCHEMBL20855788 0.68 KDM4E (0.44) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL11609659 0.67 S1PR4 (0.56) KDM4EL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL15545684 0.67 KDM4E (0.40) KDM4EL3MBTL1POLBKMT2AALDH1A1

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
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B KDM4E 2385/4885L3MBTL1 432/4885MEN1 2816/4885

“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.