SCHEMBL21884551

SCHEMBL21884551

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1Oc1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
SLC22A12 Q96S37 1/20 0.34
KMT2A Q03164 1/20 0.34
EZH2 Q15910 2/20 0.33
AR P10275 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CXCL8 P10145 1/20 0.32
KAT6A Q92794 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KCNH2 Q12809 1/20 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
SCHEMBL21884604 0.84 KDM4E (0.38) PARP10SMN1; SMN2GAAKDM4EMAPK14
SCHEMBL21884403 0.81 SLC22A12 (0.36) SLC22A12KMT2AEGLN2EGLN1NPC1
SCHEMBL23854892 0.79 LRRK2 (0.38) SMN1; SMN2GAAARKDM4ETSHR
SCHEMBL21884788 0.79 PPIA (0.40) KMT2AARKAT6ACNR2ALDH1A1
SCHEMBL21884517 0.77 HSD17B1 (0.34) SMN1; SMN2GAACNR2
SCHEMBL21884499 0.76 SMN1; SMN2 (0.34) SMN1; SMN2GAAKDM4EALDH1A1NPC1
SCHEMBL21884565 0.75 KMT2A (0.38) SLC22A12KMT2AARTSHR
SCHEMBL23854877 0.75 PPIA (0.39) KMT2AARCNR2
SCHEMBL21884520 0.74 AR (0.35) GAAARCNR2ALDH1A1TP53
SCHEMBL21884597 0.73 ALDH1A1 (0.37) SMN1; SMN2GAAKMT2AARCNR2

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 PARP10 2993/4885SMN1; SMN2 374/4885GAA 220/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PARP10 1332/4885SMN1; SMN2 430/4885GAA 666/4885

“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.