SCHEMBL2830537

SCHEMBL2830537

Cc1onc(-c2ccccc2)c1C(=O)c1cc2cccc(F)c2o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4987398 0.90 KMT2A (0.43) KMT2AMEN1GAANPC1HSD17B10
SCHEMBL2825512 0.89 KMT2A (0.52) KMT2AMEN1GAAKDM4ETSHR
SCHEMBL2827053 0.87 KMT2A (0.50) KMT2AMEN1GAATSHRLMNA
SCHEMBL2827849 0.85 KMT2A (0.61) KMT2AMEN1GAANPC1HSD17B10
SCHEMBL4593198 0.82 KMT2A (0.59) KMT2AMEN1GAANPC1TSHR
SCHEMBL2827876 0.82 POLB (0.49) KMT2AMEN1GAANPC1HSD17B10
SCHEMBL2827742 0.82 GAA (0.50) KMT2AMEN1GAANPC1KDM4E
SCHEMBL2827476 0.81 KMT2A (0.46) KMT2AMEN1GAANPC1TSHR
SCHEMBL2829677 0.81 POLB (0.51) KMT2AMEN1GAANPC1HSD17B10
SCHEMBL2832702 0.79 ADORA3 (0.46) KMT2AMEN1GAAHSD17B10KDM4E

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-1948648-B1 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-1948648-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP disclosed
US-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US disclosed
WO-2007054444-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 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-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives GABRA5, GABRA4, GABRA3 KMT2A 2367/4885MEN1 4609/4885GAA 1429/4885

“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.