SCHEMBL23631670

SCHEMBL23631670

Nc1ccc2ccn(CC(=O)NCC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 4/20 0.48
NTSR1 P30989 4/20 0.48
TSHR P16473 3/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
KMO O15229 1/20 0.44
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.43
APOBEC3A P31941 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL23631657 0.90 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL23631641 0.86 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL23631652 0.85 KMO (0.62) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL2869168 0.84 KMT2A (0.60) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL23631602 0.84 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL3354646 0.82 NTSR1 (0.51) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL23631570 0.82 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL23631661 0.81 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL6138108 0.80 KMT2A (0.69) KDM4EALDH1A1HSD17B10HPGDNTSR1
SCHEMBL23631701 0.80 KRAS (0.46) KDM4EALDH1A1HSD17B10HPGDTSHR

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 744/4885HSD17B10 460/4885

“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.