SCHEMBL3537803

SCHEMBL3537803

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1ccnc(Cl)c1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 12/20 0.48
L3MBTL1 Q9Y468 11/20 0.48
HRH3 Q9Y5N1 2/20 0.45
ADRA1A P35348 2/20 0.43
LRRK2 Q5S007 1/20 0.43
MBTD1 Q05BQ5 5/20 0.42
TP53BP1 Q12888 3/20 0.42
L3MBTL4 Q8NA19 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL3540716 0.99 L3MBTL3 (0.47) L3MBTL3L3MBTL1HRH3ADRA1ALRRK2
SCHEMBL3539281 0.94 HRH3 (0.50) L3MBTL3L3MBTL1HRH3ADRA1AHPGD
SCHEMBL3536760 0.89 L3MBTL3 (0.48) L3MBTL3L3MBTL1HRH3ADRA1ALRRK2
SCHEMBL3538564 0.88 L3MBTL3 (0.47) L3MBTL3L3MBTL1HRH3ADRA1ALRRK2
SCHEMBL3537002 0.87 HPGD (0.51) L3MBTL3L3MBTL1HRH3LRRK2MBTD1
SCHEMBL3537097 0.87 HPGD (0.51) L3MBTL3L3MBTL1HRH3LRRK2MBTD1
SCHEMBL3537168 0.84 HRH3 (0.55) HRH3HPGD
SCHEMBL3537218 0.83 HRH3 (0.50) L3MBTL3L3MBTL1HRH3ADRA1ALRRK2
SCHEMBL4045434 0.83 HRH3 (0.42) L3MBTL3L3MBTL1HRH3ADRA1AHPGD
SCHEMBL3539302 0.82 HRH3 (0.48) L3MBTL3L3MBTL1HRH3ADRA1ALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110430937-B Diblock copolymer vesicles and separation membranes comprising aquaporin water channels and methods of making and using the same 水通道蛋白有限公司 2022-03-11 CN disclosed
US-8536378-B2 Prostratin and structural or functional analogs thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-09-17 US disclosed
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
US-20090187046-A1 Process to Produce Prostratin and Structural or Functional Analogs Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-07-23 US disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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 (3 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 L3MBTL3 3467/4885L3MBTL1 3202/4885HRH3 2/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 L3MBTL3 3467/4885L3MBTL1 3202/4885HRH3 2/4885
US-20090187046-A1 Process to Produce Prostratin and Structural or Functional Analogs Thereof PTGIR, PTGDR, PTGIS L3MBTL3 3022/4885L3MBTL1 2730/4885HRH3 177/4885

“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.