SCHEMBL4500103

SCHEMBL4500103

COC(=O)c1cc(Br)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A3 Q01959 2/20 0.45
ATM Q13315 1/20 0.45
SLC6A4 P31645 1/20 0.45
ERN1 O75460 1/20 0.45
ACLY P53396 1/20 0.44
IKBKB O14920 1/20 0.43
MAP2K4 P45985 1/20 0.43
NPY5R Q15761 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL184208 0.89 KDM4E (0.61) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL4486670 0.89 KDM4E (0.57) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL16203106 0.86 TDP1 (0.55) NOTUMKDM4ENPC1RAB9AMAPT
SCHEMBL184501 0.83 KDM4E (0.55) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL15109986 0.82 NOTUM (0.54) NOTUMMAPTMEN1MAPK1KMT2A
SCHEMBL13912441 0.82 CA1 (0.53) NOTUMKDM4EMAPTSLC6A3ERN1
SCHEMBL18172335 0.81 KDM4E (0.50) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL4505786 0.80 BCL2L1 (0.60) KDM4EBCL2L1BADCA12
SCHEMBL2825430 0.80 NOTUM (0.62) NOTUMKDM4ENPC1RAB9AMAPT
SCHEMBL29453088 0.80 NOTUM (0.62) NOTUMKDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NOTUM 4494/4885KDM4E 1047/4885NPC1 2497/4885

“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.