SCHEMBL4486680

SCHEMBL4486680

Cc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
PPP1CA P62136 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RPA1 P27694 7/20 0.62
MARS1 P56192 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
ATM Q13315 1/20 0.49

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
SCHEMBL4488941 0.91 KMT2A (0.82) KMT2AMEN1PPP1CASMN1; SMN2RPA1
SCHEMBL1514517 0.90 KMT2A (0.81) KMT2AMEN1PPP1CASMN1; SMN2RPA1
SCHEMBL1514551 0.86 RPA1 (0.76) KMT2AMEN1PPP1CARPA1
SCHEMBL1514727 0.83 KMT2A (0.71) KMT2AMEN1PPP1CASMN1; SMN2RPA1
SCHEMBL1514335 0.82 RPA1 (0.80) KMT2AMEN1PPP1CASMN1; SMN2RPA1
SCHEMBL12000521 0.80 KMT2A (0.66) KMT2AMEN1PPP1CASMN1; SMN2RPA1
SCHEMBL14728132 0.79 SMN1; SMN2 (0.86) KMT2AMEN1PPP1CASMN1; SMN2RPA1
SCHEMBL1940302 0.78 KMT2A (0.64) KMT2AMEN1PPP1CARPA1MARS1
Hydrochloric Acid SCHEMBL8742176 0.78 SMN1; SMN2 (0.97) KMT2AMEN1PPP1CASMN1; SMN2RPA1
SCHEMBL1514553 0.77 MARS1 (0.73) KMT2AMEN1PPP1CARPA1MARS1

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 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.