SCHEMBL21884444

SCHEMBL21884444

COc1ccc(F)cc1-c1c(Cl)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.40
SLC9A1 P19634 2/20 0.38
PNLIP P16233 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KCNMA1 Q12791 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
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTSA P10619 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL21885734 0.85 CCNT1 (0.42) SLC9A1ALDH1A1
SCHEMBL21884554 0.83 PYGL (0.36) PYGLPNLIPSMN1; SMN2KCNMA1MEN1
SCHEMBL21884440 0.79 CCNT1 (0.36) SLC9A1ALDH1A1KDM4E
SCHEMBL21885702 0.77 PPIA (0.35) PYGLSMN1; SMN2MEN1KMT2A
SCHEMBL21884581 0.76 KCNMA1 (0.42) SLC9A1PNLIPKCNMA1MEN1ALDH1A1
SCHEMBL21885735 0.75 WDR5 (0.44) PNLIPSMN1; SMN2MEN1ALDH1A1GLA
SCHEMBL23854863 0.73 CCNT1 (0.41) ALDH1A1
SCHEMBL21884599 0.73 HSD17B1 (0.35) PYGLKCNMA1MEN1KMT2A
SCHEMBL23875006 0.73 SLC9A1 (0.37) PYGLSLC9A1SMN1; SMN2MEN1KMT2A
SCHEMBL21884382 0.73 ALDH1A1 (0.37) ALDH1A1MAPK1KDM4E

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 PYGL 274/4885SLC9A1 125/4885PNLIP 952/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PYGL 2138/4885SLC9A1 4677/4885PNLIP 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.