SCHEMBL23631622

SCHEMBL23631622

NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.47
PSMB5 P28074 2/20 0.47
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 4/20 0.45
TSHR P16473 3/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NTSR1 P30989 1/20 0.45
POLB P06746 2/20 0.42
APOBEC3A P31941 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KRAS P01116 5/20 0.42
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
DOT1L Q8TEK3 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL23631602 0.88 KDM4E (0.48) PSMB1PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL23631648 0.77 NTSR1 (0.60) PSMB1PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL20612088 0.77 SMN1; SMN2 (0.67) PSMB1PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL26683806 0.77 KMT2A (0.60) NTSR1FGFR1FGFR4HTR7PRMT5
SCHEMBL23631584 0.76 NTSR1 (0.61) PSMB1PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL21810438 0.75 KDM4E (0.48) PSMB1PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL23631670 0.75 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL23631667 0.74 NTSR1 (0.63) PSMB1PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL23631668 0.74 NTSR1 (0.63) PSMB1PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL23631599 0.74 NTSR1 (0.63) PSMB1PSMB5KDM4EALDH1A1HSD17B10

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 PSMB1 3885/4885PSMB5 3065/4885KDM4E 2239/4885

“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.