SCHEMBL21884529

SCHEMBL21884529

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.49
TMPRSS4 Q9NRS4 3/20 0.44
P2RX1 P51575 1/20 0.39
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NAAA Q02083 1/20 0.37
CNR1 P21554 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KDM1A O60341 1/20 0.35
LRRK2 Q5S007 1/20 0.34
ELANE P08246 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL21884388 0.86 TMPRSS4 (0.47) CDK1TMPRSS4P2RX1NAAAEGLN1
SCHEMBL21884378 0.83 TMPRSS4 (0.50) TMPRSS4P2RX1CNR1EGLN1LRRK2
SCHEMBL21884511 0.81 TMPRSS4 (0.44) TMPRSS4P2RX1NAMPTKDM1A
SCHEMBL21884385 0.81 SCN9A (0.44) TMPRSS4P2RX1KDM4EALDH1A1NAAA
SCHEMBL21884386 0.81 TMPRSS4 (0.46) TMPRSS4P2RX1NAMPTALDH1A1EGLN1
SCHEMBL21884601 0.81 TMPRSS4 (0.44) TMPRSS4P2RX1ALDH1A1EGLN1LRRK2
SCHEMBL21884488 0.80 ERCC1 (0.45) TMPRSS4P2RX1KDM4EALDH1A1MKNK2
SCHEMBL8656390 0.79 KDM4E (0.54) CDK1TMPRSS4P2RX1KDM4EALDH1A1
SCHEMBL21884626 0.79 TMPRSS4 (0.42) TMPRSS4P2RX1ALDH1A1NAAAEGLN1
SCHEMBL21884528 0.78 NAMPT (0.47) TMPRSS4NAMPTALDH1A1

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 CDK1 4636/4885TMPRSS4 1380/4885P2RX1 3206/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CDK1 2958/4885TMPRSS4 3136/4885P2RX1 4811/4885

“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.