SCHEMBL23631689

SCHEMBL23631689

O=C(O)CNC(=O)Cn1ccc2ccc(-c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
APOBEC3A P31941 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
NTSR1 P30989 4/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMO O15229 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL23631570 0.90 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631661 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631657 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631655 0.85 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631577 0.84 CA1 (0.45) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631579 0.83 NTSR1 (0.44) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631593 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631652 0.81 KMO (0.62) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631670 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL23631602 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GLA

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
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 US claimed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 US disclosed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections CBS, MPO, QSOX1 KDM4E 2239/4885ALDH1A1 744/4885HPGD 148/4885

“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.