SCHEMBL6440948

SCHEMBL6440948

O=C(c1ccc(F)cc1)c1ccn2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TP53 P04637 2/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPK14 Q16539 1/20 0.40
LTA4H P09960 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9602766 0.86 FNTA (0.49) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL27516303 0.82 FNTA (0.39) MEN1KMT2ATP53ALDH1A1GAA
SCHEMBL6791634 0.81 FNTA (0.38) KMT2AALDH1A1GAAPOLBMAPT
SCHEMBL1754308 0.74 AKR1C3 (0.58) MEN1KMT2AALDH1A1LTA4HLMNA
Benzene SCHEMBL28318261 0.73 AKR1C3 (0.61) MEN1KMT2AALDH1A1GAAMAPK14
SCHEMBL9749020 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL9231407 0.72 BAZ2B (0.41) TP53ALDH1A1GAAPOLBLMNA
SCHEMBL2631222 0.72 MAPT (0.42) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL27873928 0.71 AKR1C3 (0.65) ALDH1A1GAAMAPK14LTA4HLMNA
SCHEMBL6791631 0.70 FNTA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601678-A2 FUSED PYRROLE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-12-07 EP disclosed
US-20050014754-A1 Fused pyrrole compounds SYNTA PHARMACEUTICALS CORP. 2005-01-20 US disclosed
WO-2004082606-A2 FUSED PYRROLE COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2004-09-30 WO disclosed
WO-2004082606-A2 FUSED PYRROLE COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2004-09-30 WO 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-20050014754-A1 Fused pyrrole compounds PDE4A, PDE4B, IL4 MEN1 769/4885KMT2A 2890/4885TP53 590/4885

“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.