SCHEMBL4488941

SCHEMBL4488941

O=C(O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.82
MEN1 O00255 2/20 0.82
PPP1CA P62136 4/20 0.67
MARS1 P56192 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.66
RPA1 P27694 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.57
FABP3 P05413 1/20 0.54
SNCA P37840 1/20 0.54
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL1514517 0.93 KMT2A (0.81) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL1514727 0.92 KMT2A (0.71) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL4486680 0.91 KMT2A (1.00) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL1514551 0.89 RPA1 (0.76) KMT2AMEN1PPP1CARPA1
SCHEMBL27717132 0.87 KMT2A (0.72) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL12000521 0.85 KMT2A (0.66) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL1514553 0.82 MARS1 (0.73) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL1110926 0.81 MARS1 (0.76) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL1940302 0.81 KMT2A (0.64) KMT2AMEN1PPP1CAMARS1L3MBTL1
SCHEMBL116301 0.80 MARS1 (1.00) PPP1CAMARS1L3MBTL1RPA1SMN1; SMN2

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 KMT2A 1216/4885MEN1 4495/4885PPP1CA 3092/4885

“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.