SCHEMBL6077802

SCHEMBL6077802

O=C(NCc1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
LMNA P02545 4/20 0.76
CXCR4 P61073 1/20 0.66
CYP3A4 P08684 1/20 0.65
MAPK14 Q16539 1/20 0.65
EPHX2 P34913 1/20 0.61
PPARG P37231 1/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC1 Q13547 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
ALOX12 P18054 1/20 0.59
RECQL P46063 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
SCHEMBL3455449 0.93 L3MBTL1 (0.69) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL10099566 0.93 NR1H4 (0.69) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL6569859 0.93 HDAC6 (0.73) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL6357065 0.91 LMNA (0.70) L3MBTL1LMNACXCR4MAPK14EPHX2
SCHEMBL95283 0.91 L3MBTL1 (0.67) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL10099594 0.91 LMNA (0.70) L3MBTL1LMNACXCR4MAPK14EPHX2
SCHEMBL19630565 0.91 EPHX2 (0.68) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL8429875 0.91 LMNA (0.70) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL6355362 0.91 POLB (0.72) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL5230740 0.91 HDAC6 (0.72) L3MBTL1LMNACXCR4EPHX2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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 (2 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF L3MBTL1 2246/4885LMNA 3521/4885CXCR4 599/4885
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 L3MBTL1 2120/4885LMNA 1197/4885CXCR4 3824/4885

“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.