SCHEMBL21884520

SCHEMBL21884520

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
CNR2 P34972 1/20 0.34
MAOB P27338 1/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP11B2 P19099 2/20 0.32
IL4 P05112 1/20 0.32
BACE1 P56817 1/20 0.31
CYP11B1 P15538 1/20 0.31
SCN9A Q15858 1/20 0.31
AOC3 Q16853 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
TP53 P04637 1/20 0.30
MAPK10 P53779 1/20 0.30
ESR1 P03372 1/20 0.30
XDH P47989 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
SCHEMBL21884575 0.89 CNR2 (0.36) ARCNR2HSD17B1HSD17B2CYP11B2
SCHEMBL21884524 0.89 MMP3 (0.34) ARMAOB
SCHEMBL21884519 0.88 PIK3CA (0.36) ARGAAALDH1A1LMNATP53
SCHEMBL21884453 0.88 KDM4E (0.34) ARGAAALDH1A1LMNAGRIA2
SCHEMBL21884597 0.88 ALDH1A1 (0.37) ARCNR2MAOBGAAALDH1A1
SCHEMBL21884672 0.87 AR (0.41) AR
SCHEMBL21884651 0.86 AR (0.40) ARCNR2
SCHEMBL21884588 0.85 CHUK (0.35) ARALDH1A1LMNASCN9A
SCHEMBL21884669 0.85 ALDH1A1 (0.44) ARGAAALDH1A1LMNABACE1
SCHEMBL21884395 0.84 SSTR2 (0.33) ARCNR2HSD17B1HSD17B2ALDH1A1

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 AR 3072/4885CNR2 2493/4885MAOB 2027/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AR 4315/4885CNR2 4620/4885MAOB 4461/4885

“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.