SCHEMBL21884522

SCHEMBL21884522

COc1ccc(CNC(=N)NC(=O)c2c(O)ccc(C#N)c2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPIA P62937 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MAPK14 Q16539 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL21884439 0.79 ALDH1A1 (0.36) NPC1RAB9AALDH1A1PPIASMN1; SMN2
SCHEMBL21884426 0.79 PPIA (0.35) PPIAKDM4EKMT2AMEN1LMNA
SCHEMBL21884669 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1SMN1; SMN2KDM4EHTT
SCHEMBL23875063 0.78 ALDH1A1 (0.35) NPC1RAB9AALDH1A1PPIASMN1; SMN2
SCHEMBL21884523 0.77 HIF1A (0.37) ALDH1A1NPSR1PPIA
SCHEMBL21884782 0.75 CTSS (0.36) MAPK1KMT2AMAPTMEN1
SCHEMBL21884597 0.75 ALDH1A1 (0.37) NPC1RAB9AALDH1A1PPIASMN1; SMN2
SCHEMBL21884774 0.74 GSK3B (0.48) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL21884671 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EHTTMAPTHPGD
SCHEMBL4628790 0.72 NPC1 (0.72) NPC1RAB9AALDH1A1NPSR1CYP1A2

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 NPC1 138/4885RAB9A 1467/4885ALDH1A1 1823/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 NPC1 947/4885RAB9A 489/4885ALDH1A1 4382/4885

“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.