SCHEMBL21885735

SCHEMBL21885735

COc1ccc(F)cc1-c1c(Cl)ccc(O)c1C(=O)NC1=NCCN1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 17/20 0.44
NISCH Q9Y2I1 1/20 0.38
PNLIP P16233 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23875079 0.86 CCNT1 (0.42)
SCHEMBL21884374 0.81 CCNT1 (0.40) WDR5
SCHEMBL21884660 0.81 CCNT1 (0.40)
SCHEMBL24066323 0.80 WDR5 (0.40) WDR5NISCH
SCHEMBL21884435 0.77 ALDH1A1 (0.36) WDR5ALDH1A1SMN1; SMN2
SCHEMBL23875006 0.76 SLC9A1 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL21884444 0.75 PYGL (0.40) PNLIPMEN1ALDH1A1GLAKMT2A
SCHEMBL21884371 0.75 ABL1 (0.36) WDR5NISCH
SCHEMBL24066342 0.75 PGR (0.39) WDR5NISCH
SCHEMBL21884401 0.74 WDR5 (0.36) WDR5

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 3 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-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 WDR5 3394/4885NISCH 1713/4885PNLIP 952/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885NISCH 4403/4885PNLIP 2225/4885

“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.