SCHEMBL21884517

SCHEMBL21884517

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
CYP11B2 P19099 1/20 0.31
CNR2 P34972 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21884614 0.83
SCHEMBL21884594 0.83 LRRK2 (0.34) GAASMN1; SMN2
SCHEMBL21884598 0.83 CXCR1 (0.35) GAASMN1; SMN2
SCHEMBL21884520 0.82 AR (0.35) HSD17B1HSD17B2CYP11B2CNR2GAA
SCHEMBL21884575 0.81 CNR2 (0.36) HSD17B1HSD17B2CYP11B2CNR2
SCHEMBL23854877 0.81 PPIA (0.39) HSD17B1HSD17B2CNR2
SCHEMBL21884788 0.80 PPIA (0.40) CYP11B2CNR2
SCHEMBL21884491 0.80 GAA (0.31) GAASMN1; SMN2
SCHEMBL23854892 0.80 LRRK2 (0.38) GAASMN1; SMN2
SCHEMBL21884599 0.79 HSD17B1 (0.35) HSD17B1HSD17B2

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 HSD17B1 1039/4885HSD17B2 1221/4885CYP11B2 769/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 HSD17B1 4048/4885HSD17B2 4093/4885CYP11B2 4207/4885

“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.