SCHEMBL23854858

SCHEMBL23854858

N#Cc1ccc(O)c(C(=O)N=C2NCCN2)c1-c1cc(Cl)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
P2RX1 P51575 2/20 0.32
S1PR3 Q99500 4/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR1 P21453 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30
GRM4 Q14833 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL23854856 0.91 HSP90AA1 (0.33) HSP90AA1HSP90AB1CNR2
SCHEMBL21884796 0.89 NISCH (0.34) HSP90AA1HSP90AB1HPGDMAPT
SCHEMBL21884799 0.86 PIM1 (0.35) S1PR3MEN1KMT2AS1PR1RAB9A
SCHEMBL21884485 0.86 CUL4A (0.33) CNR2
SCHEMBL23854884 0.84 PDK2 (0.31)
SCHEMBL21884797 0.84 P2RX7 (0.32)
SCHEMBL21884487 0.83 SLC22A12 (0.34)
SCHEMBL21884795 0.82 KDM4E (0.38) P2RX1LMNAMEN1KMT2AESR2
SCHEMBL21884798 0.82 BCAT1 (0.34)
SCHEMBL21884490 0.82 PIM1 (0.35) LMNAMEN1KMT2AALDH1A1HPGD

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 4 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

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 1380/4885HSP90AA1 1280/4885HSP90AB1 1560/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885HSP90AA1 170/4885HSP90AB1 121/4885

“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.