SCHEMBL21999712

SCHEMBL21999712

O=C(Oc1cccccc1=O)c1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KDM4E B2RXH2 2/20 0.63
GAA P10253 2/20 0.63
USP2 O75604 2/20 0.50
ALOX15 P16050 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
PARP1 P09874 1/20 0.46
TOP1 P11387 1/20 0.46
MEN1 O00255 1/20 0.45
JAK2 O60674 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL9644263 0.83 KMT2A (1.00) KMT2AMAPTSMN1; SMN2GAAUSP2
SCHEMBL19509566 0.82 KMT2A (0.77) KMT2AMAPTSMN1; SMN2GAAUSP2
SCHEMBL14335116 0.81 KDM4E (0.59) KMT2AMAPTSMN1; SMN2KDM4EGAA
SCHEMBL14055345 0.81 KMT2A (0.59) KMT2AMAPTKDM4EGAAUSP2
SCHEMBL19509565 0.81 KMT2A (0.70) KMT2AMAPTSMN1; SMN2KDM4EGAA
SCHEMBL30721452 0.80 KDM4E (0.68) KMT2AMAPTKDM4EGAAUSP2
SCHEMBL6057189 0.80 KDM4E (0.68) KMT2AMAPTKDM4EGAAUSP2
SCHEMBL9139340 0.79 KMT2A (0.57) KMT2AMAPTSMN1; SMN2KDM4EGAA
SCHEMBL6875008 0.79 KMT2A (0.53) KMT2AKDM4EGAAUSP2ALOX15
SCHEMBL10664817 0.78 PARP1 (0.58) KMT2ASMN1; SMN2KDM4EGAAUSP2

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
WO-2021041776-A1 LIPOSOMAL TROPONOID COMPOUND FORMULATIONS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-03-04 WO disclosed
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2020-05-14 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-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS DNTT, APRT, RNGTT KMT2A 804/4885MAPT 3444/4885SMN1; SMN2 3844/4885

“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.