SCHEMBL5780558

SCHEMBL5780558

O=C(N1CCc2cc([N+](=O)[O-])cc(I)c2CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL117485 0.91 ESR1 (0.48) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL5781997 0.85 ESR1 (0.43) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL5782401 0.85 ESR1 (0.40) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL5448248 0.83 KMT2A (0.45) L3MBTL1MEN1KMT2ALMNAHTT
SCHEMBL720157 0.79 ESR1 (0.53) ESR1ESR2MEN1KMT2AHTT
SCHEMBL5442760 0.78 LMNA (0.47) L3MBTL1MEN1KMT2ALMNAHTT
SCHEMBL14788111 0.77 BAZ2B (0.47) L3MBTL1MEN1KMT2ALMNAHTT
SCHEMBL13076095 0.77 ESR1 (0.45) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL5874074 0.77 ESR1 (0.48) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL3898040 0.76 ESR1 (0.44) ESR1ESR2PKMCA12CA1

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-1660459-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS Amgen inc. (US) 2006-05-31 EP disclosed
EP-1487801-B1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO¬D|AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2006-04-19 EP disclosed
US-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders GLAXO GROUP LIMITED (GB) 2005-04-28 US disclosed
WO-2005016277-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS AMGEN INC. (US) 2005-02-24 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-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders HTR6, HTR7, HTR2A ESR1 2161/4885ESR2 794/4885L3MBTL1 4752/4885

“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.