SCHEMBL4073525

SCHEMBL4073525

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
TPMT P51580 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4064221 0.77 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL15545096 0.76 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL15545335 0.76 L3MBTL1 (0.39) KDM4EL3MBTL1ALDH1A1KMT2AACHE
SCHEMBL4073522 0.70 KDM4E (0.38) KDM4EL3MBTL1ALDH1A1TSHRHPGD
SCHEMBL4064831 0.70 PDE10A (0.38) MEN1KMT2ACA12CA9
SCHEMBL8325510 0.65 TUBB4A (0.35)
SCHEMBL22335921 0.63 CYP4A11 (0.47) KDM4EALDH1A1TSHRNR3C2
SCHEMBL15545684 0.62 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL4071519 0.61 KCNH2 (0.40) BCHE
SCHEMBL12908109 0.61 NPC1 (0.42) KDM4EL3MBTL1ALDH1A1TSHRCA12

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 432/4885ALDH1A1 1037/4885

“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.