SCHEMBL6774643

SCHEMBL6774643

COC(=O)C(N)Cc1c2ccccc2nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
GLA P06280 2/20 0.47
POLB P06746 1/20 0.47
TACR3 P29371 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TOP2A P11388 1/20 0.43
ELANE P08246 7/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
EDNRA P25101 2/20 0.42

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
SCHEMBL27499561 1.00 KDM4E (0.47) KDM4EGLAPOLBTACR3L3MBTL1
SCHEMBL7018652 0.83 SLC7A5 (0.55) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL6495560 0.77 LOXL2 (0.47) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6495563 0.76 LOXL2 (0.46) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6495555 0.76 LOXL2 (0.46) KDM4EALDH1A1
Phenylalanine Methyl Ester SCHEMBL74888 0.76 SLC7A5 (0.63) ALDH1A1KMT2A
Phenylalanine Methyl Ester SCHEMBL27880854 0.76 SLC7A5 (0.63) ALDH1A1KMT2A
Phenylalanine Methyl Ester SCHEMBL74887 0.76 SLC7A5 (0.63) ALDH1A1KMT2A
Phenylalanine Methyl Ester SCHEMBL186022 0.76 SLC7A5 (0.63) ALDH1A1KMT2A
SCHEMBL27484851 0.75 CYP1A2 (0.51) ALDH1A1GAAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716852-B2 FOR THERAPY OF ARTERIAL HYPERTENSION AND CARDIOVASCULAR DISEASES LES LABORATORIES SERVIER (FR) 2004-04-06 US disclosed
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors LES LABORATOIRES SERVIER (FR) 2003-03-20 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-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors MME, ACE, ECE1 KDM4E 592/4885GLA 1982/4885POLB 1024/4885

“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.