SCHEMBL23631648

SCHEMBL23631648

O=C(O)CNC(=O)Cn1ccc2cc(Br)ccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 4/20 0.60
KRAS P01116 7/20 0.53
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 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
SCHEMBL23631602 0.89 KDM4E (0.48) NTSR1KRASPSMB1PSMB5KMT2A
SCHEMBL31238612 0.87 NTSR1 (0.58) NTSR1KRASPSMB1PSMB5HTR2A
SCHEMBL31238628 0.85 NTSR1 (0.56) NTSR1KRASPSMB1PSMB5HTR2A
SCHEMBL418013 0.84 KMT2A (0.60) NTSR1KRASHTR2AHTR2CKMT2A
SCHEMBL6138108 0.80 KMT2A (0.69) NTSR1KMT2AKDM4EALDH1A1GLA
SCHEMBL23631588 0.80 KRAS (0.56) NTSR1KRASKMT2AALDH1A1HTT
SCHEMBL31602786 0.78 KMT2A (0.65) NTSR1KMT2AKDM4EALDH1A1GLA
SCHEMBL23631622 0.77 PSMB1 (0.47) NTSR1KRASPSMB1PSMB5KDM4E
SCHEMBL24480089 0.77 ALDH1A1 (0.62) NTSR1KRASKDM4EALDH1A1HPGD
SCHEMBL2008953 0.77 HTR2A (0.55) NTSR1KRASHTR2AHTR2CKMT2A

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-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

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 NTSR1 2656/4885KRAS 1973/4885PSMB1 3885/4885

“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.