SCHEMBL21884635

SCHEMBL21884635

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.44
PGR P06401 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.34
PPIA P62937 1/20 0.34
SLC22A12 Q96S37 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATR Q13535 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL21884352 0.91 AR (0.42) ARPGRPPIA
SCHEMBL21884355 0.90 AR (0.41) ARPGRPPIA
SCHEMBL21884631 0.86 ESR2 (0.36) ARPGRPPIAKMT2ASMN1; SMN2
SCHEMBL21884788 0.85 PPIA (0.40) ARPGRPPIAALDH1A1KMT2A
SCHEMBL21884449 0.84 RORC (0.38) ARPGRSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL21884627 0.83 PPIA (0.33) ARPGRPPIAALDH1A1HPGD
SCHEMBL21884434 0.83 L3MBTL1 (0.38) ARPPIAALDH1A1HPGDNPC1
SCHEMBL23854877 0.81 PPIA (0.39) ARPGRPPIAKMT2A
SCHEMBL21884591 0.80 PGR (0.44) ARPGRALDH1A1HPGDKMT2A
SCHEMBL21884597 0.80 ALDH1A1 (0.37) ARPPIAALDH1A1HPGDNPC1

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 3072/4885PGR 3024/4885TAS2R14 4118/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AR 4315/4885PGR 4621/4885TAS2R14 4698/4885

“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.