SCHEMBL21884439

SCHEMBL21884439

CNC(=N)NC(=O)c1c(O)ccc(C#N)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34
UBE2N P61088 1/20 0.34
ADORA1 P30542 1/20 0.34
PPIA P62937 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 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
SCHEMBL23875063 0.89 ALDH1A1 (0.35) ALDH1A1HTTHSD17B10MAOAMAOB
SCHEMBL21884597 0.85 ALDH1A1 (0.37) ALDH1A1HTTHSD17B10MAOAMAOB
SCHEMBL21884782 0.83 CTSS (0.36) MAPK1MAPTMEN1KMT2A
SCHEMBL21884426 0.83 PPIA (0.35) MAOAMAOBKDM4ECNR2ADORA1
SCHEMBL21884523 0.81 HIF1A (0.37) ALDH1A1PPIA
SCHEMBL21884379 0.81 PPIA (0.34) POLBPPIAAR
SCHEMBL21884464 0.81 PPIA (0.32) POLBPPIAAR
SCHEMBL21884467 0.80 PPIA (0.38) CNR2PPIAAR
SCHEMBL21884563 0.79 PPIA (0.37) CNR2PPIAMEN1KMT2AAR
SCHEMBL21884409 0.78 PPIA (0.36) ALDH1A1KDM4EPPIAMEN1LMNA

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 ALDH1A1 1823/4885HTT 844/4885HSD17B10 1041/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ALDH1A1 4382/4885HTT 353/4885HSD17B10 3277/4885

“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.