SCHEMBL21884527

SCHEMBL21884527

N#Cc1ccc(O)c(C(=O)NC(=N)NCc2ccccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.42
HTT P42858 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX1 P51575 1/20 0.38
MAOB P27338 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 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
SCHEMBL21884488 0.84 ERCC1 (0.45) TMPRSS4HTTHPGDALDH1A1MAPT
SCHEMBL21884511 0.82 TMPRSS4 (0.44) TMPRSS4P2RX1
SCHEMBL21884388 0.79 TMPRSS4 (0.47) TMPRSS4MEN1KMT2AP2RX1
SCHEMBL21884386 0.78 TMPRSS4 (0.46) TMPRSS4ALDH1A1MEN1KMT2AP2RX1
SCHEMBL21884528 0.78 NAMPT (0.47) TMPRSS4HPGDALDH1A1
SCHEMBL21884600 0.78 AKR1C3 (0.42) TMPRSS4HPGDALDH1A1MAPTTSHR
SCHEMBL21884415 0.77 P2RX1 (0.49) TMPRSS4MEN1KMT2AP2RX1NPC1
SCHEMBL21884378 0.76 TMPRSS4 (0.50) TMPRSS4P2RX1
SCHEMBL21884601 0.76 TMPRSS4 (0.44) TMPRSS4ALDH1A1MEN1KMT2AP2RX1
SCHEMBL21884529 0.76 CDK1 (0.49) TMPRSS4ALDH1A1MAPTP2RX1

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 TMPRSS4 1380/4885HTT 844/4885HPGD 879/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885HTT 353/4885HPGD 3683/4885

“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.