SCHEMBL21968898

SCHEMBL21968898

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nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
LONP1 P36776 7/20 0.52
PSMB11 A5LHX3 2/20 0.52
PSMA7 O14818 2/20 0.52
PSMB1 P20618 2/20 0.52
PSMA1 P25786 2/20 0.52
PSMA2 P25787 2/20 0.52
PSMA3 P25788 2/20 0.52
PSMA4 P25789 2/20 0.52
PSMB8 P28062 2/20 0.52
PSMB9 P28065 2/20 0.52
PSMA5 P28066 2/20 0.52
PSMB4 P28070 2/20 0.52
PSMB6 P28072 2/20 0.52
PSMB5 P28074 2/20 0.52
PSMB10 P40306 2/20 0.52
PSMB3 P49720 2/20 0.52
PSMB2 P49721 2/20 0.52
PSMA6 P60900 2/20 0.52

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
SCHEMBL30786951 1.00 SMN1; SMN2 (0.52) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL21968828 1.00 SMN1; SMN2 (0.52) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL21968901 0.85 LONP1 (0.60) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL5837260 0.85 LONP1 (0.60) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL10255381 0.84 LONP1 (0.53) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL30017450 0.81 LONP1 (0.46) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL30786953 0.81 LONP1 (0.46) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL30018942 0.81 LONP1 (0.46) SMN1; SMN2HTTLONP1PSMB11PSMA7
SCHEMBL21274317 0.81 KDM4E (0.50) SMN1; SMN2HTTPSMB5AKR1B1KDM4E
SCHEMBL8742393 0.81 KDM4E (0.50) SMN1; SMN2HTTPSMB5AKR1B1KDM4E

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-20230159471-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2023-05-25 US disclosed
US-11584725-B2 Pyrazinoic acid conjugates and hybrid conjugates AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2023-02-21 US disclosed
US-20200140397-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-07 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 (3 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-11584725-B2 Pyrazinoic acid conjugates and hybrid conjugates QPCT, RARA, PNKP SMN1; SMN2 4368/4885HTT 3167/4885LONP1 3776/4885
US-20200140397-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES QPCT, RARA, PNKP SMN1; SMN2 4368/4885HTT 3167/4885LONP1 3776/4885
US-20230159471-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES QPCT, RARA, PNKP SMN1; SMN2 4368/4885HTT 3167/4885LONP1 3776/4885

“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.