SCHEMBL4072980

SCHEMBL4072980

CN(C(=O)O)c1ccc2ccc(Br)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
NCEH1 Q6PIU2 2/20 0.40
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.36
DYRK1A Q13627 1/20 0.36
PPARA Q07869 2/20 0.36
NCF1 P14598 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SORT1 Q99523 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL8232361 0.80 NCEH1 (0.40) BACE1NCEH1HTTCYP1A2CYP2C19
SCHEMBL26654260 0.80 BACE1 (0.37) BACE1NCEH1HTTCYP1A2CYP2C19
SCHEMBL4783071 0.78 NCF1 (0.61) HTTCYP1A2CYP2C19ALDH1A1NCF1
Hydrochloric Acid SCHEMBL11799344 0.77 NCF1 (0.59) HTTCYP1A2CYP2C19ALDH1A1NCF1
SCHEMBL31314984 0.76 BACE1 (0.53) BACE1NCEH1HTTCYP1A2CYP2C19
SCHEMBL26789623 0.76 BACE1 (0.53) BACE1NCEH1HTTCYP1A2CYP2C19
SCHEMBL4300243 0.75 NCEH1 (0.41) NCEH1MCL1ALDH1A1LMNAL3MBTL1
SCHEMBL26654254 0.74 AKT1 (0.38) BACE1NCEH1GAAEGFR
SCHEMBL2099047 0.73 GBA1 (0.50) ALDH1A1KDM4EEGFR
SCHEMBL3475222 0.71 ALDH1A1 (0.50) NCEH1CYP1A2CYP2C19ALDH1A1LMNA

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 BACE1 3634/4885NCEH1 3612/4885HTT 3990/4885

“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.