SCHEMBL23854892

SCHEMBL23854892

COc1c(C#N)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 3/20 0.35
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL21884499 0.86 SMN1; SMN2 (0.34) ALDH1A1F2F10PLAUPLAT
SCHEMBL21884604 0.83 KDM4E (0.38) F2F10PLAUSMN1; SMN2KDM4E
SCHEMBL21884594 0.82 LRRK2 (0.34) LRRK2ALDH1A1F2F10PLAU
SCHEMBL21884669 0.81 ALDH1A1 (0.44) ALDH1A1F2F10PLAUPLAT
SCHEMBL21884383 0.80 L3MBTL1 (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL21884614 0.80
SCHEMBL21884598 0.80 CXCR1 (0.35) LRRK2SMN1; SMN2ARGAA
SCHEMBL21884517 0.80 HSD17B1 (0.34) SMN1; SMN2GAA
SCHEMBL21884491 0.79 GAA (0.31) SMN1; SMN2GAA
SCHEMBL21884551 0.79 PARP10 (0.36) ALDH1A1SMN1; SMN2ARKDM4EGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 LRRK2 3750/4885ALDH1A1 1823/4885F2 4663/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 LRRK2 623/4885ALDH1A1 4382/4885F2 4520/4885

“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.