SCHEMBL21884426

SCHEMBL21884426

N#Cc1ccc(O)c(C(=O)NC(=N)NCCF)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.35
CNR2 P34972 1/20 0.33
AR P10275 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
F10 P00742 1/20 0.31
ADORA1 P30542 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HPGDS O60760 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
IKBKB O14920 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
SCHEMBL21884523 0.83 HIF1A (0.37) PPIA
SCHEMBL21884439 0.83 ALDH1A1 (0.36) PPIACNR2ARMAOAMAOB
SCHEMBL23875063 0.82 ALDH1A1 (0.35) PPIACNR2ARMAOAMAOB
SCHEMBL21884497 0.82 PPIA (0.35) PPIAIKBKB
SCHEMBL21884597 0.80 ALDH1A1 (0.37) PPIACNR2ARMAOAMAOB
SCHEMBL24066312 0.80 PPIA (0.31) PPIA
SCHEMBL21884623 0.80 PPIA (0.31) PPIA
SCHEMBL21884510 0.80 ALDH1A1 (0.33) PPIAARDRD2LMNA
SCHEMBL21884522 0.79 NPC1 (0.47) PPIACNR2KDM4EMEN1LMNA
SCHEMBL23875059 0.77 CCNT1 (0.38)

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 PPIA 1961/4885CNR2 2493/4885AR 3072/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885CNR2 4620/4885AR 4315/4885

“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.