SCHEMBL4497854

SCHEMBL4497854

Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
RPA1 P27694 6/20 0.66
MARS1 P56192 6/20 0.66
PPP1CA P62136 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL1831165 0.91 MARS1 (0.74) ALDH1A1RPA1MARS1PPP1CASMN1; SMN2
SCHEMBL5473862 0.90 RPA1 (0.78) ALDH1A1RPA1MARS1PPP1CASMN1; SMN2
Hydrochloric Acid SCHEMBL9630623 0.89 MARS1 (0.72) ALDH1A1RPA1MARS1PPP1CASMN1; SMN2
SCHEMBL27714730 0.87 MARS1 (0.74) ALDH1A1RPA1MARS1PPP1CASMN1; SMN2
SCHEMBL117477 0.85 RPA1 (0.83) RPA1MARS1PPP1CASMN1; SMN2MEN1
SCHEMBL27738307 0.84 MARS1 (0.62) ALDH1A1RPA1MARS1PPP1CASMN1; SMN2
SCHEMBL9630621 0.81 MARS1 (0.61) ALDH1A1RPA1MARS1PPP1CAMEN1
SCHEMBL1514335 0.80 RPA1 (0.80) ALDH1A1RPA1PPP1CASMN1; SMN2MEN1
SCHEMBL117472 0.80 MARS1 (1.00) ALDH1A1RPA1MARS1PPP1CASMN1; SMN2
SCHEMBL341019 0.80 RXRA (0.62) ALDH1A1RPA1MARS1SMN1; SMN2MEN1

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 ALDH1A1 2159/4885RPA1 3427/4885MARS1 1857/4885

“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.