SCHEMBL4498296

SCHEMBL4498296

CN1Nc2ccc(C(=O)O)cc2C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.43
▸ KMT2A Q03164 11/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 2/20 0.40
▸ ATM Q13315 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL4489540 0.78 GAA (0.48) MEN1KMT2AGAAALDH1A1TP53
SCHEMBL17285619 0.63 POLB (0.47) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL24068018 0.63 ALOX5 (0.48) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL21880766 0.62 ALDH1A1 (0.44) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL17238264 0.62 ALDH1A1 (0.51) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL31606261 0.61 ALOX5 (0.49) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL23776141 0.60 PRCP (0.42) KDM4E
SCHEMBL18670700 0.59 TSHR (0.50) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL18682217 0.59 TSHR (0.50) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL19412996 0.59 HTR7 (0.50) MEN1KMT2AKDM4EGAAALDH1A1

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 MEN1 4495/4885KMT2A 1216/4885KDM4E 1047/4885

“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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