SCHEMBL21884499

SCHEMBL21884499

CCOc1c(C#N)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
IDO1 P14902 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 3/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL23854892 0.86 LRRK2 (0.38) SMN1; SMN2GAAF2F10PLAU
SCHEMBL21884604 0.80 KDM4E (0.38) SMN1; SMN2GAAF2F10PLAU
SCHEMBL21884594 0.79 LRRK2 (0.34) SMN1; SMN2GAAF2F10PLAU
SCHEMBL21884614 0.77
SCHEMBL21884598 0.77 CXCR1 (0.35) SMN1; SMN2GAA
SCHEMBL21884517 0.77 HSD17B1 (0.34) SMN1; SMN2GAA
SCHEMBL21884491 0.76 GAA (0.31) SMN1; SMN2GAA
SCHEMBL21884551 0.76 PARP10 (0.36) SMN1; SMN2GAAKDM4EALDH1A1NPC1
SCHEMBL21884429 0.74 LRRK2 (0.33) LMNAALDH1A1
SCHEMBL21884453 0.73 KDM4E (0.34) SMN1; SMN2GAAF2F10PLAU

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 5 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
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO 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 SMN1; SMN2 374/4885GAA 220/4885F2 4663/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 SMN1; SMN2 430/4885GAA 666/4885F2 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.