SCHEMBL4486371

SCHEMBL4486371

Cn1nc(-c2ccccc2F)c2cc(C(=O)O)sc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 3/20 0.70
MAPT P10636 13/20 0.67
TP53 P04637 6/20 0.67
HPGD P15428 3/20 0.67
HSD17B10 Q99714 2/20 0.67
TSHR P16473 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
USP2 O75604 1/20 0.62
NPSR1 Q6W5P4 2/20 0.60
GAA P10253 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL348602 0.83 KDM4E (1.00) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL14075019 0.77 KDM4E (0.77) ALDH1A1KDM4EMAPTTP53HPGD
SCHEMBL23494024 0.74 KDM4E (0.78) ALDH1A1KDM4EMAPTTP53HPGD
SCHEMBL31632881 0.73 RORC (0.52) ALDH1A1KDM4EMAPTTP53HPGD
SCHEMBL31632943 0.73 ALB (0.44) ALDH1A1KDM4EMAPTTP53HPGD
SCHEMBL4762047 0.72 P2RX3 (0.69) ALDH1A1KDM4EMAPTTP53HPGD
SCHEMBL1520694 0.72 PIM3 (0.74) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL5924831 0.72 NPC1 (0.80) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4499362 0.71 KDM4E (0.51) ALDH1A1KDM4EMAPTTP53HPGD
SCHEMBL31633066 0.69 MAPT (0.49) ALDH1A1KDM4EMAPTTP53HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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 (1 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 ALDH1A1 2159/4885KDM4E 1047/4885MAPT 4669/4885

“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.