SCHEMBL4489540

SCHEMBL4489540

CN1Nc2ccc(Br)cc2C1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15583212 0.80 PRCP (0.42) GAAMEN1KMT2AMAPTLMNA
SCHEMBL16109306 0.78 GAA (0.60) GAAMEN1KMT2ACRHBPCRHR2
SCHEMBL31320807 0.75 HTR2A (0.37) GAAMEN1KMT2AMAPTLMNA
SCHEMBL28548270 0.75 HTR2A (0.37) GAAMEN1KMT2AMAPTLMNA
SCHEMBL18166495 0.69 TP53 (0.58) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL2846060 0.68 TP53 (0.63) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL16108000 0.68 BRD4 (0.54) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL19142240 0.66 KMT2A (0.49) GAAMEN1KMT2ACRHBPCRHR2
SCHEMBL16109569 0.66 MEN1 (0.43) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL16109587 0.65 SIRT1 (0.41) GAAMEN1KMT2ACYP1A2CYP2C9

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
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
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 GAA 4732/4885MEN1 4495/4885KMT2A 1216/4885

“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.

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