SCHEMBL5781997

SCHEMBL5781997

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.36
CYP11B2 P19099 1/20 0.36
HPGD P15428 1/20 0.36
GPR35 Q9HC97 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL5874074 0.91 ESR1 (0.48) ESR1ESR2L3MBTL1ALDH1A1LMNA
SCHEMBL5780558 0.85 ESR1 (0.43) ESR1ESR2L3MBTL1ALDH1A1LMNA
SCHEMBL5782401 0.85 ESR1 (0.40) ESR1ESR2L3MBTL1ALDH1A1HPGD
SCHEMBL720157 0.79 ESR1 (0.53) ESR1ESR2ALDH1A1HPGDMAPT
SCHEMBL5783454 0.79 ESR1 (0.47) ESR1ESR2CYP11B2PKM
SCHEMBL5441574 0.78 HTR2A (0.52) L3MBTL1ALDH1A1LMNAGPR35MAPT
Chloroform SCHEMBL3708759 0.78 ESR1 (0.49) ESR1ESR2HPGDPKMMEN1
SCHEMBL169052 0.77 ESR1 (0.44) ESR1ESR2ALDH1A1LMNAHPGD
SCHEMBL13076095 0.77 ESR1 (0.45) ESR1ESR2L3MBTL1ALDH1A1HPGD
SCHEMBL117485 0.77 ESR1 (0.48) ESR1ESR2L3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.