SCHEMBL21884604

SCHEMBL21884604

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
PLA2G7 Q13093 1/20 0.33
PNLIP P16233 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PLAU P00749 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CTNNB1 P35222 1/20 0.31
F10 P00742 3/20 0.31
MAP2K1 Q02750 1/20 0.31
F2 P00734 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
SCHEMBL21884403 0.87 SLC22A12 (0.36) F10F2
SCHEMBL21884551 0.84 PARP10 (0.36) KDM4EMAPK14SMN1; SMN2GAAPARP10
SCHEMBL23854892 0.83 LRRK2 (0.38) KDM4ESMN1; SMN2GAAPLAUF10
SCHEMBL23874986 0.81 KDM4E (0.35) KDM4EHSD17B10PLA2G7MAP2K1
SCHEMBL21884499 0.80 SMN1; SMN2 (0.34) KDM4EHSD17B10SMN1; SMN2GAAPLAU
SCHEMBL21884597 0.79 ALDH1A1 (0.37) KDM4EHSD17B10SMN1; SMN2GAAPLAU
SCHEMBL24066347 0.78 MMP13 (0.35) KDM4EHSD17B10
SCHEMBL21884594 0.76 LRRK2 (0.34) KDM4ESMN1; SMN2GAAPLAUF10
SCHEMBL21884517 0.76 HSD17B1 (0.34) SMN1; SMN2GAA
SCHEMBL21884598 0.76 CXCR1 (0.35) SMN1; SMN2GAA

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 KDM4E 2932/4885HSD17B10 1041/4885MAPK14 3537/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM4E 4324/4885HSD17B10 3277/4885MAPK14 2651/4885

“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.