SCHEMBL21884795

SCHEMBL21884795

N#Cc1ccc(O)c(C(=O)N=C2NCCN2)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
GPR35 Q9HC97 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
LRRK2 Q5S007 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PIM1 P11309 1/20 0.33
P2RX1 P51575 1/20 0.33
NUDT1 P36639 1/20 0.33
ESR2 Q92731 1/20 0.33
HTR6 P50406 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL23854838 0.87 AR (0.34) IDO1FASN
SCHEMBL21884792 0.87 MAOA (0.37) KDM4EALDH1A1GAAFASN
SCHEMBL23854865 0.85 KDM4E (0.43) KDM4EALDH1A1GAALRRK2
SCHEMBL23854847 0.84 RIPK3 (0.34)
SCHEMBL21884557 0.82 MAOA (0.36) ALDH1A1MEN1KMT2AFASN
SCHEMBL23854858 0.82 TMPRSS4 (0.36) KDM4EALDH1A1P2RX1ESR2MEN1
SCHEMBL23854845 0.82 KDM4E (0.38) KDM4EGPR35ALDH1A1GAAPIM1
SCHEMBL21884531 0.82 PDK2 (0.32)
SCHEMBL23875026 0.81 MGLL (0.42) ALDH1A1CYP2C9
SCHEMBL21884490 0.81 PIM1 (0.35) KDM4EALDH1A1GAALRRK2PIM1

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 KDM4E 2932/4885GPR35 1787/4885ALOX5 4260/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM4E 4324/4885GPR35 3534/4885ALOX5 4751/4885

“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.