SCHEMBL4064218

SCHEMBL4064218

COc1ccc(C)nc1CNC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
KDM4E B2RXH2 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL15545334 0.84 GABRP (0.43) ADORA2AKDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL4073522 0.81 KDM4E (0.38) ADORA2AKDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL3075399 0.77 KDM4E (0.59) KDM4EL3MBTL1MAPTGAATDP1
SCHEMBL8285706 0.75 S1PR4 (0.50) KDM4ESMN1; SMN2MAPTGAATDP1
SCHEMBL14003102 0.73 KDM4E (0.40) KDM4ESMN1; SMN2MAPTGAATDP1
SCHEMBL8284459 0.72 KDM4E (0.42) KDM4ESMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL3067223 0.72 KDM4E (0.42) KDM4EL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL4076665 0.71 KDM4E (0.46) KDM4EL3MBTL1SMN1; SMN2MAPTGAA
SCHEMBL26611978 0.71 MTNR1A (0.45) TDP1POLB
SCHEMBL3389616 0.70 KDM4E (0.53) KDM4EL3MBTL1MAPTGAATDP1

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 ADORA2A 155/4885KDM4E 2385/4885L3MBTL1 432/4885

“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.