SCHEMBL21884447

SCHEMBL21884447

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.35
CNR1 P21554 7/20 0.35
CASP1 P29466 1/20 0.34
TMPRSS4 Q9NRS4 2/20 0.33
AR P10275 1/20 0.33
P2RX1 P51575 2/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ADRA1D P25100 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
S1PR3 Q99500 2/20 0.31

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
SCHEMBL21884514 0.91 AR (0.38) CNR2TMPRSS4ARP2RX1P2RX4
SCHEMBL21884519 0.90 PIK3CA (0.36) CASP1TMPRSS4ARP2RX1S1PR3
SCHEMBL21884575 0.87 CNR2 (0.36) CNR2CNR1ARHSD17B1HSD17B2
SCHEMBL21884648 0.87 CNR2 (0.37) CNR2CNR1AR
SCHEMBL21884453 0.85 KDM4E (0.34) AR
SCHEMBL21884597 0.85 ALDH1A1 (0.37) CNR2AR
SCHEMBL21884524 0.84 MMP3 (0.34) CASP1TMPRSS4AR
SCHEMBL21884530 0.84 TMPRSS4 (0.40) CNR2TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL21884520 0.83 AR (0.35) CNR2ARESR1HSD17B1HSD17B2
SCHEMBL21884598 0.82 CXCR1 (0.35) CASP1TMPRSS4ARP2RX1ESR1

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 CNR2 2493/4885CNR1 2541/4885CASP1 4825/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CNR2 4620/4885CNR1 4529/4885CASP1 4622/4885

“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.