SCHEMBL21707396

SCHEMBL21707396

O=C(Nc1cccc(C(=O)Nc2cccc(O)c2)c1)c1cccc(O)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.89
KMT2A Q03164 5/20 0.89
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
MAPK1 P28482 2/20 0.68
TP53 P04637 1/20 0.68
PKM P14618 2/20 0.66
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
P2RX1 P51575 1/20 0.62
KDM4E B2RXH2 2/20 0.61
KCNK3 O14649 2/20 0.61
KCNK9 Q9NPC2 2/20 0.61
EGLN2 Q96KS0 1/20 0.61
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
CYP1A2 P05177 1/20 0.59
KCNH2 Q12809 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL6793906 0.98 MEN1 (0.93) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL29800565 0.98 MEN1 (0.93) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL11675529 0.94 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL23070493 0.91 MEN1 (0.75) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL3863282 0.89 KMT2A (0.77) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL2063559 0.89 KMT2A (0.77) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL2385408 0.89 KMT2A (0.83) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL28860008 0.89 MEN1 (0.76) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL11225086 0.86 MEN1 (0.78) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL11669212 0.86 KCNK3 (0.81) MEN1KMT2ANPC1RAB9ATP53

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-11717508-B2 Compounds, compositions, and methods for inhibiting bacterial growth BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-08-08 US disclosed
US-20200046678-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING BACTERIAL GROWTH BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2020-02-13 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 (2 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-11717508-B2 Compounds, compositions, and methods for inhibiting bacterial growth LSS, PGLS, GLA MEN1 2809/4885KMT2A 4367/4885NPC1 906/4885
US-20200046678-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING BACTERIAL GROWTH LSS, PGLS, GLA MEN1 2809/4885KMT2A 4367/4885NPC1 906/4885

“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.