SCHEMBL2470860

SCHEMBL2470860

CC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)noc3CO)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 1/20 0.38
MAPK14 Q16539 3/20 0.36
CSNK1D P48730 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
GABRA5 P31644 3/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.34
CYP3A4 P08684 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL2469058 0.92 RXFP1 (0.42) RXFP1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL2471843 0.90 RXFP1 (0.40) RXFP1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL2470837 0.87 BRD4 (0.45) RXFP1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL2319376 0.84 PTGS2 (0.46) RXFP1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL2473628 0.84 MCHR1 (0.41) KDM4EMAPK14MAPTPTGS2
SCHEMBL2471834 0.82 PTGS2 (0.49) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2476794 0.80 GPR119 (0.38) RXFP1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2469015 0.79 GABRA5 (0.47) KDM4EMEN1ALDH1A1KMT2AMAP4K4
SCHEMBL2469106 0.78 PTGS2 (0.47) KDM4EALDH1A1MAPTPTGS2PTGS1
SCHEMBL2470875 0.77 BRD4 (0.44) SMN1; SMN2KDM4EMEN1KMT2AMAP4K4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 RXFP1 800/4885SMN1; SMN2 3331/4885KDM4E 830/4885

“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.