SCHEMBL6701145

SCHEMBL6701145

O=C(CC1Nc2ccccc2NC1=O)NCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.77
ALDH1A1 P00352 15/20 0.77
TAAR1 Q96RJ0 1/20 0.77
HSD17B10 Q99714 12/20 0.76
HPGD P15428 6/20 0.76
ALOX15 P16050 5/20 0.76
GAA P10253 5/20 0.76
POLB P06746 3/20 0.76
MAPT P10636 7/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 2/20 0.60
TP53 P04637 2/20 0.60
NPC1 O15118 1/20 0.60
HTT P42858 3/20 0.58
TSHR P16473 1/20 0.58
NTSR1 P30989 1/20 0.57
EGFR P00533 1/20 0.56

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
SCHEMBL4418592 1.00 KDM4E (0.77) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL4428703 0.87 KDM4E (1.00) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL4420851 0.79 ALDH1A1 (0.74) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL4425365 0.79 ALDH1A1 (0.74) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL4417733 0.78 KDM4E (0.82) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL13598876 0.78 KDM4E (0.82) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL4175139 0.75 KMT2A (0.78) ALDH1A1HSD17B10POLBMAPTMEN1
SCHEMBL5773842 0.75 KDM4E (0.77) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL4424303 0.75 ALDH1A1 (0.71) KDM4EALDH1A1TAAR1HSD17B10HPGD
SCHEMBL5646247 0.75 MAPT (0.82) KDM4EALDH1A1HSD17B10HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BAYER HEALTHCARE AG (DE) 2004-11-25 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-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BDKRB2, BDKRB1, LTB4R2 KDM4E 3548/4885ALDH1A1 4292/4885TAAR1 613/4885

“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.