SCHEMBL21884598

SCHEMBL21884598

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
AR P10275 8/20 0.33
CASP1 P29466 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.32
S1PR3 Q99500 2/20 0.31
LRRK2 Q5S007 1/20 0.31
P2RX1 P51575 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ADRA1D P25100 1/20 0.30

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
SCHEMBL21884360 0.84 MEN1 (0.33) CXCR1CXCR2ARGAASMN1; SMN2
SCHEMBL21884594 0.83 LRRK2 (0.34) ARGAASMN1; SMN2LRRK2
SCHEMBL21884517 0.83 HSD17B1 (0.34) GAASMN1; SMN2
SCHEMBL21884519 0.82 PIK3CA (0.36) ARCASP1GAATMPRSS4S1PR3
SCHEMBL21884447 0.82 CNR2 (0.35) ARCASP1TMPRSS4S1PR3P2RX1
SCHEMBL21884572 0.81 TAS1R3 (0.33) SMN1; SMN2P2RX1
SCHEMBL21884614 0.81
SCHEMBL21884596 0.80 CYP3A4 (0.39) CXCR2GAA
SCHEMBL21884434 0.80 L3MBTL1 (0.38) ARGAASMN1; SMN2S1PR3S1PR2
SCHEMBL23854892 0.80 LRRK2 (0.38) ARGAASMN1; SMN2LRRK2

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 CXCR1 3460/4885CXCR2 2954/4885AR 3072/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CXCR1 4448/4885CXCR2 3103/4885AR 4315/4885

“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.